| Year |
Citation |
Score |
| 2024 |
Baselious F, Hilscher S, Robaa D, Barinka C, Schutkowski M, Sippl W. Comparative Structure-Based Virtual Screening Utilizing Optimized AlphaFold Model Identifies Selective HDAC11 Inhibitor. International Journal of Molecular Sciences. 25. PMID 38279359 DOI: 10.3390/ijms25021358 |
0.378 |
|
| 2024 |
Pannek M, Alhalabi Z, Tomaselli D, Menna M, Fiorentino F, Robaa D, Weyand M, Puhlmann M, Tomassi S, Barreca F, Tafani M, Zaganjor E, Haigis MC, Sippl W, Rotili D, et al. Specific Inhibitors of Mitochondrial Deacylase Sirtuin 4 Endowed with Cellular Activity. Journal of Medicinal Chemistry. PMID 38253001 DOI: 10.1021/acs.jmedchem.3c01496 |
0.401 |
|
| 2023 |
Tavares MT, Krüger A, Yan SLR, Waitman KB, Gomes VM, de Oliveira DS, Paz F, Hilscher S, Schutkowski M, Sippl W, Ruiz C, Toledo MFZJ, Hassimotto NMA, Machado-Neto JA, Poso A, et al. 1,3-Diphenylureido hydroxamate as a promising scaffold for generation of potent antimalarial histone deacetylase inhibitors. Scientific Reports. 13: 21006. PMID 38030668 DOI: 10.1038/s41598-023-47959-z |
0.38 |
|
| 2023 |
Baselious F, Robaa D, Sippl W. Utilization of AlphaFold models for drug discovery: Feasibility and challenges. Histone deacetylase 11 as a case study. Computers in Biology and Medicine. 167: 107700. PMID 37972533 DOI: 10.1016/j.compbiomed.2023.107700 |
0.323 |
|
| 2023 |
Abdelsalam M, Zmyslia M, Schmidtkunz K, Vecchio A, Hilscher S, Ibrahim HS, Schutkowski M, Jung M, Jessen-Trefzer C, Sippl W. Design and synthesis of bioreductive prodrugs of class I histone deacetylase inhibitors and their biological evaluation in virally transfected acute myeloid leukemia cells. Archiv Der Pharmazie. e2300536. PMID 37932028 DOI: 10.1002/ardp.202300536 |
0.385 |
|
| 2023 |
Sinatra L, Vogelmann A, Friedrich F, Tararina MA, Neuwirt E, Colcerasa A, König P, Toy L, Yesiloglu TZ, Hilscher S, Gaitzsch L, Papenkordt N, Zhai S, Zhang L, Romier C, ... ... Sippl W, et al. Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. Journal of Medicinal Chemistry. 66: 14787-14814. PMID 37902787 DOI: 10.1021/acs.jmedchem.3c01385 |
0.374 |
|
| 2023 |
Bülbül EF, Robaa D, Sun P, Mahmoudi F, Melesina J, Zessin M, Schutkowski M, Sippl W. Application of Ligand- and Structure-Based Prediction Models for the Design of Alkylhydrazide-Based HDAC3 Inhibitors as Novel Anti-Cancer Compounds. Pharmaceuticals (Basel, Switzerland). 16. PMID 37513880 DOI: 10.3390/ph16070968 |
0.42 |
|
| 2022 |
Wimmer S, Hoff K, Martin B, Grewer M, Denni L, Lascorz Massanet R, Raimondi MV, Bülbül EF, Melesina J, Hotop SK, Haupenthal J, Rohde H, Heisig P, Hirsch AKH, Brönstrup M, ... Sippl W, et al. Synthesis, biological evaluation, and molecular docking studies of aldotetronic acid-based LpxC inhibitors. Bioorganic Chemistry. 131: 106331. PMID 36587505 DOI: 10.1016/j.bioorg.2022.106331 |
0.309 |
|
| 2022 |
Darwish S, Heimburg T, Ridinger J, Herp D, Schmidt M, Romier C, Jung M, Oehme I, Sippl W. Synthesis, Biochemical, and Cellular Evaluation of HDAC6 Targeting Proteolysis Targeting Chimeras. Methods in Molecular Biology (Clifton, N.J.). 2589: 179-193. PMID 36255625 DOI: 10.1007/978-1-0716-2788-4_12 |
0.303 |
|
| 2022 |
Abdelsalam M, Ibrahim HS, Krauss L, Zessin M, Vecchio A, Hastreiter S, Schutkowski M, Schneider G, Sippl W. Development of Pyrazine-Anilinobenzamides as Histone Deacetylase HDAC1-3 Selective Inhibitors and Biological Testing Against Pancreas Cancer Cell Lines. Methods in Molecular Biology (Clifton, N.J.). 2589: 145-155. PMID 36255623 DOI: 10.1007/978-1-0716-2788-4_10 |
0.323 |
|
| 2022 |
Darwish S, Ghazy E, Heimburg T, Herp D, Zeyen P, Salem-Altintas R, Ridinger J, Robaa D, Schmidtkunz K, Erdmann F, Schmidt M, Romier C, Jung M, Oehme I, Sippl W. Design, Synthesis and Biological Characterization of Histone Deacetylase 8 (HDAC8) Proteolysis Targeting Chimeras (PROTACs) with Anti-Neuroblastoma Activity. International Journal of Molecular Sciences. 23. PMID 35886887 DOI: 10.3390/ijms23147535 |
0.351 |
|
| 2022 |
Herp D, Ridinger J, Robaa D, Shinsky SA, Schmidtkunz K, Yesiloglu TZ, Bayer T, Steimbach RR, Herbst-Gervasoni CJ, Merz A, Romier C, Sehr P, Gunkel N, Miller AK, Christianson DW, ... ... Sippl W, et al. First fluorescent acetylspermidine deacetylation assay for HDAC10 identifies selective inhibitors with cellular target engagement. Chembiochem : a European Journal of Chemical Biology. PMID 35608330 DOI: 10.1002/cbic.202200180 |
0.396 |
|
| 2022 |
Lechner S, Malgapo MIP, Grätz C, Steimbach RR, Baron A, Rüther P, Nadal S, Stumpf C, Loos C, Ku X, Prokofeva P, Lautenbacher L, Heimburg T, Würf V, Meng C, ... ... Sippl W, et al. Target deconvolution of HDAC pharmacopoeia reveals MBLAC2 as common off-target. Nature Chemical Biology. PMID 35484434 DOI: 10.1038/s41589-022-01015-5 |
0.323 |
|
| 2022 |
Cheshmazar N, Hemmati S, Hamzeh-Mivehroud M, Sokouti B, Zessin M, Schutkowski M, Sippl W, Nozad Charoudeh H, Dastmalchi S. Development of New Inhibitors of HDAC1-3 Enzymes Aided by Design Strategies. Journal of Chemical Information and Modeling. PMID 35467871 DOI: 10.1021/acs.jcim.1c01557 |
0.369 |
|
| 2022 |
Bülbül EF, Melesina J, Ibrahim HS, Abdelsalam M, Vecchio A, Robaa D, Zessin M, Schutkowski M, Sippl W. Docking, Binding Free Energy Calculations and In Vitro Characterization of Pyrazine Linked 2-Aminobenzamides as Novel Class I Histone Deacetylase (HDAC) Inhibitors. Molecules (Basel, Switzerland). 27. PMID 35458724 DOI: 10.3390/molecules27082526 |
0.373 |
|
| 2022 |
Zeyen P, Zeyn Y, Herp D, Mahmoudi F, Yesiloglu TZ, Erdmann F, Schmidt M, Robaa D, Romier C, Ridinger J, Herbst-Gervasoni CJ, Christianson DW, Oehme I, Jung M, Krämer OH, ... Sippl W, et al. Identification of histone deacetylase 10 (HDAC10) inhibitors that modulate autophagy in transformed cells. European Journal of Medicinal Chemistry. 234: 114272. PMID 35306288 DOI: 10.1016/j.ejmech.2022.114272 |
0.353 |
|
| 2022 |
Vaca HR, Celentano AM, Toscanini MA, Hauser AT, Macchiaroli N, Cuestas ML, Nusblat AD, Sippl W, Elissondo MC, Jung M, Camicia F, Rosenzvit MC. Identification and characterization of sirtuin enzymes in cestodes and evaluation of sirtuin inhibitors as new cestocidal molecules. International Journal For Parasitology. PMID 35150663 DOI: 10.1016/j.ijpara.2021.12.002 |
0.365 |
|
| 2021 |
Ibrahim HS, Abdelsalam M, Zeyn Y, Zessin M, Mustafa AM, Fischer MA, Zeyen P, Sun P, Bülbül EF, Vecchio A, Erdmann F, Schmidt M, Robaa D, Barinka C, Romier C, ... ... Sippl W, et al. Synthesis, Molecular Docking and Biological Characterization of Pyrazine Linked 2-Aminobenzamides as New Class I Selective Histone Deacetylase (HDAC) Inhibitors with Anti-Leukemic Activity. International Journal of Molecular Sciences. 23. PMID 35008795 DOI: 10.3390/ijms23010369 |
0.35 |
|
| 2021 |
Turgutalp B, Uslu M, Helvacioglu S, Charehsaz M, Gurdal EE, Sippl W, Kocabas F, Yarim M. Lead Optimization and Structure-Activity Relationship Studies on Myeloid Ecotropic Viral Integration Site 1 Inhibitor. Journal of Medicinal Chemistry. PMID 34542289 DOI: 10.1021/acs.jmedchem.1c00972 |
0.347 |
|
| 2021 |
Ghazy E, Heimburg T, Lancelot J, Zeyen P, Schmidtkunz K, Truhn A, Darwish S, Simoben CV, Shaik TB, Erdmann F, Schmidt M, Robaa D, Romier C, Jung M, Pierce R, ... Sippl W, et al. Synthesis, structure-activity relationships, cocrystallization and cellular characterization of novel smHDAC8 inhibitors for the treatment of schistosomiasis. European Journal of Medicinal Chemistry. 225: 113745. PMID 34392190 DOI: 10.1016/j.ejmech.2021.113745 |
0.371 |
|
| 2021 |
Luise C, Robaa D, Regenass P, Maurer D, Ostrovskyi D, Seifert L, Bacher J, Burgahn T, Wagner T, Seitz J, Greschik H, Park KS, Xiong Y, Jin J, Schüle R, ... ... Sippl W, et al. Structure-Based Design, Docking and Binding Free Energy Calculations of A366 Derivatives as Spindlin1 Inhibitors. International Journal of Molecular Sciences. 22. PMID 34072837 DOI: 10.3390/ijms22115910 |
0.353 |
|
| 2021 |
Simoben CV, Ghazy E, Zeyen P, Darwish S, Schmidt M, Romier C, Robaa D, Sippl W. Binding Free Energy (BFE) Calculations and Quantitative Structure-Activity Relationship (QSAR) Analysis of Histone Deacetylase 8 (HDAC8) Inhibitors. Molecules (Basel, Switzerland). 26. PMID 33925246 DOI: 10.3390/molecules26092584 |
0.403 |
|
| 2021 |
Vaca HR, Celentano AM, Toscanini MA, Heimburg T, Ghazy E, Zeyen P, Hauser AT, Oliveira G, Elissondo MC, Jung M, Sippl W, Camicia F, Rosenzvit MC. The potential for histone deacetylase (HDAC) inhibitors as cestocidal drugs. Plos Neglected Tropical Diseases. 15: e0009226. PMID 33657105 DOI: 10.1371/journal.pntd.0009226 |
0.342 |
|
| 2021 |
Sippl W, Melesina J, Simoben CV, Bülbül EF, Praetorius L, Robaa D. Strategies to Design Selective Histone Deacetylase Inhibitors. Chemmedchem. PMID 33428327 DOI: 10.1002/cmdc.202000934 |
0.341 |
|
| 2020 |
Wurzlbauer A, Rüben K, Gürdal E, Chaikuad A, Knapp S, Sippl W, Becker W, Bracher F. How to Separate Kinase Inhibition from Undesired Monoamine Oxidase A Inhibition-The Development of the DYRK1A Inhibitor AnnH75 from the Alkaloid Harmine. Molecules (Basel, Switzerland). 25. PMID 33339338 DOI: 10.3390/molecules25245962 |
0.344 |
|
| 2020 |
Glas C, Dietschreit JCB, Wössner N, Urban L, Ghazy E, Sippl W, Jung M, Ochsenfeld C, Bracher F. Identification of the subtype-selective Sirt5 inhibitor balsalazide through systematic SAR analysis and rationalization via theoretical investigations. European Journal of Medicinal Chemistry. 206: 112676. PMID 32858418 DOI: 10.1016/J.Ejmech.2020.112676 |
0.494 |
|
| 2020 |
Ângelo de Souza L, Silva E Bastos M, de Melo Agripino J, Souza Onofre T, Apaza Calla LF, Heimburg T, Ghazy E, Bayer T, Ferraz da Silva VH, Dutra Ribeiro P, Licursi de Oliveira L, Costa Bressan G, de Almeida Lamêgo MR, Silva-Júnior A, de Souza Vasconcellos R, ... ... Sippl W, et al. Histone deacetylases inhibitors as new potential drugs against Leishmania braziliensis, the main causative agent of new world tegumentary leishmaniasis. Biochemical Pharmacology. 180: 114191. PMID 32777278 DOI: 10.1016/J.Bcp.2020.114191 |
0.381 |
|
| 2020 |
Karaman Mayack B, Sippl W, Ntie-Kang F. Natural Products as Modulators of Sirtuins. Molecules (Basel, Switzerland). 25. PMID 32698385 DOI: 10.3390/Molecules25143287 |
0.404 |
|
| 2020 |
Schiedel M, Lehotzky A, Szunyogh S, Oláh J, Hammelmann S, Wössner N, Robaa D, Einsle O, Sippl W, Ovádi J, Jung M. HaloTag-targeted Sirtuin rearranging ligand (SirReal) for the development of proteolysis targeting chimeras (PROTACs) against the lysine deacetylase Sirtuin 2 (Sirt2). Chembiochem : a European Journal of Chemical Biology. PMID 32672888 DOI: 10.1002/Cbic.202000351 |
0.364 |
|
| 2020 |
Divsalar DN, Simoben CV, Schonhofer C, Richard K, Sippl W, Ntie-Kang F, Tietjen I. Novel Histone Deacetylase Inhibitors and HIV-1 Latency-Reversing Agents Identified by Large-Scale Virtual Screening. Frontiers in Pharmacology. 11: 905. PMID 32625097 DOI: 10.3389/Fphar.2020.00905 |
0.392 |
|
| 2020 |
Coutinho Carneiro V, de Abreu da Silva IC, Amaral MS, Pereira ASA, Silveira GO, Pires DDS, Verjovski-Almeida S, Dekker FJ, Rotili D, Mai A, Lopes-Torres EJ, Robaa D, Sippl W, Pierce RJ, Borrello MT, et al. Pharmacological inhibition of lysine-specific demethylase 1 (LSD1) induces global transcriptional deregulation and ultrastructural alterations that impair viability in Schistosoma mansoni. Plos Neglected Tropical Diseases. 14: e0008332. PMID 32609727 DOI: 10.1371/Journal.Pntd.0008332 |
0.428 |
|
| 2020 |
Ghazy E, Zeyen P, Herp D, Hügle M, Schmidtkunz K, Erdmann F, Robaa D, Schmidt M, Morales ER, Romier C, Günther S, Jung M, Sippl W. Design, synthesis, and biological evaluation of dual targeting inhibitors of histone deacetylase 6/8 and bromodomain BRPF1. European Journal of Medicinal Chemistry. 200: 112338. PMID 32497960 DOI: 10.1016/J.Ejmech.2020.112338 |
0.479 |
|
| 2020 |
Gulcan HO, Noshadi B, Ercetin T, Luise C, Yuksel MY, Sippl W, Sahin MF, Gazi M. Synthesis, Characterization, Molecular docking, and Biological Activities of Some Natural and Synthetic Urolithin Analogues. Chemistry & Biodiversity. PMID 32497364 DOI: 10.1002/Cbdv.202000197 |
0.356 |
|
| 2020 |
Wössner N, Alhalabi Z, González J, Swyter S, Gan J, Schmidtkunz K, Zhang L, Vaquero A, Ovaa H, Einsle O, Sippl W, Jung M. Sirtuin 1 Inhibiting Thiocyanates (S1th)-A New Class of Isotype Selective Inhibitors of NAD Dependent Lysine Deacetylases. Frontiers in Oncology. 10: 657. PMID 32426286 DOI: 10.3389/Fonc.2020.00657 |
0.443 |
|
| 2020 |
Bekono BD, Ntie-Kang F, Onguéné PA, Lifongo LL, Sippl W, Fester K, Owono LCO. The potential of anti-malarial compounds derived from African medicinal plants: a review of pharmacological evaluations from 2013 to 2019. Malaria Journal. 19: 183. PMID 32423415 DOI: 10.1186/S12936-020-03231-7 |
0.307 |
|
| 2020 |
Hoff K, Mielniczuk S, Agoglitta O, Iorio MT, Caldara M, Bülbül EF, Melesina J, Sippl W, Holl R. Synthesis and biological evaluation of triazolyl-substituted benzyloxyacetohydroxamic acids as LpxC inhibitors. Bioorganic & Medicinal Chemistry. 115529. PMID 32386952 DOI: 10.1016/J.Bmc.2020.115529 |
0.385 |
|
| 2020 |
Vogelmann A, Robaa D, Sippl W, Jung M. Proteolysis targeting chimeras (PROTACs) for epigenetics research. Current Opinion in Chemical Biology. 57: 8-16. PMID 32146413 DOI: 10.1016/J.Cbpa.2020.01.010 |
0.401 |
|
| 2020 |
Temme L, Bechthold E, Schreiber JA, Gawaskar S, Schepmann D, Robaa D, Sippl W, Seebohm G, Wünsch B. Negative allosteric modulators of the GluN2B NMDA receptor with phenylethylamine structure embedded in ring-expanded and ring-contracted scaffolds. European Journal of Medicinal Chemistry. 190: 112138. PMID 32070917 DOI: 10.1016/J.Ejmech.2020.112138 |
0.334 |
|
| 2020 |
Kalinin DV, Jana SK, Pfafenrot M, Chakrabarti A, Melesina J, Shaik TB, Lancelot J, Pierce RJ, Sippl W, Romier C, Jung M, Holl R. Front Cover: Structure‐Based Design, Synthesis, and Biological Evaluation of Triazole‐Based smHDAC8 Inhibitors (ChemMedChem 7/2020) Chemmedchem. 15: 559-559. DOI: 10.1002/Cmdc.201000139 |
0.346 |
|
| 2019 |
Holl R, Kalinin DV, Jana SK, Pfafenrot M, Chakrabarti A, Melesina J, Shaik TB, Lancelot J, Pierce RJ, Sippl W, Romier C, Jung M. Structure-Based Design, Synthesis, and Biological Evaluation of Triazole-Based smHDAC8 Inhibitors. Chemmedchem. PMID 31816172 DOI: 10.1002/Cmdc.201900583 |
0.493 |
|
| 2019 |
Zessin M, Kutil Z, Meleshin M, Nováková Z, Ghazy E, Kalbas D, Marek M, Romier C, Sippl W, Bařinka C, Schutkowski M. One-Atom Substitution Enables Direct and Continuous Monitoring of Histone Deacylase Activity. Biochemistry. PMID 31682411 DOI: 10.1021/Acs.Biochem.9B00786 |
0.401 |
|
| 2019 |
Temme L, Börgel F, Schepmann D, Robaa D, Sippl W, Daniliuc C, Wünsch B. Impact of hydroxy moieties at the benzo[7]annulene ring system of GluN2B ligands: Design, synthesis and biological evaluation. Bioorganic & Medicinal Chemistry. 115146. PMID 31648876 DOI: 10.1016/J.Bmc.2019.115146 |
0.327 |
|
| 2019 |
Roatsch M, Hoffmann I, Abboud MI, Hancock RL, Tarhonskaya H, Hsu KF, Wilkins SE, Yeh TL, Lippl K, Serrer K, Moneke I, Ahrens TD, Robaa D, Wenzler S, Barthes NPF, ... ... Sippl W, et al. The Clinically Used Iron Chelator Deferasirox is an Inhibitor of Epigenetic JumonjiC Domain-Containing Histone Demethylases. Acs Chemical Biology. PMID 31287655 DOI: 10.1021/Acschembio.9B00289 |
0.464 |
|
| 2019 |
Kalinin DV, Agoglitta O, Van de Vyver H, Melesina J, Wagner S, Riemann B, Schäfers M, Sippl W, Löffler B, Holl R. Proline-based hydroxamates targeting the zinc-dependent deacetylase LpxC: Synthesis, antibacterial properties, and docking studies. Bioorganic & Medicinal Chemistry. PMID 30954331 DOI: 10.1016/J.Bmc.2019.03.056 |
0.385 |
|
| 2019 |
Dreger A, Kharwb O, Agoglitta O, Bülbül EF, Melesina J, Sippl W, Holl R. Chiral pool synthesis, biological evaluation and molecular docking studies of C-furanosidic LpxC inhibitors. Chemmedchem. PMID 30801965 DOI: 10.1002/Cmdc.201900068 |
0.392 |
|
| 2019 |
Vögerl K, Ong N, Senger J, Herp D, Schmidtkunz K, Marek M, Müller M, Bartel K, Shaik TB, Porter NJ, Robaa D, Christianson DW, Romier C, Sippl W, Jung M, et al. Synthesis and Biological Investigation of Phenothiazine-Based Benzhydroxamic Acids as Selective Histone Deacetylase 6 (HDAC6) Inhibitors. Journal of Medicinal Chemistry. PMID 30645113 DOI: 10.1021/Acs.Jmedchem.8B01090 |
0.475 |
|
| 2019 |
Najjar A, Olğaç A, Ntie-Kang F, Sippl W. Fragment-based drug design of nature-inspired compounds Physical Sciences Reviews. 4. DOI: 10.1515/Psr-2018-0110 |
0.741 |
|
| 2018 |
Loesche A, Köwitsch A, Lucas SD, Al-Halabi Z, Sippl W, Al-Harrasi A, Csuk R. Ursolic and oleanolic acid derivatives with cholinesterase inhibiting potential. Bioorganic Chemistry. 85: 23-32. PMID 30599410 DOI: 10.1016/J.Bioorg.2018.12.013 |
0.437 |
|
| 2018 |
Najjar A, Platzer C, Luft A, Aßmann CA, Elghazawy NH, Erdmann F, Sippl W, Schmidt M. Computer-aided design, synthesis and biological characterization of novel inhibitors for PKMYT1. European Journal of Medicinal Chemistry. 161: 479-492. PMID 30388464 DOI: 10.1016/J.Ejmech.2018.10.050 |
0.455 |
|
| 2018 |
Marek M, Shaik TB, Heimburg T, Chakrabarti A, Lancelot J, Ramos Morales E, Da Veiga C, Kalinin DV, Melesina J, Robaa D, Schmidtkunz K, Suzuki T, Holl R, Ennifar E, Pierce R, ... ... Sippl W, et al. Characterization of histone deacetylase 8 (HDAC8) selective inhibition reveals specific active site structural and functional determinants. Journal of Medicinal Chemistry. PMID 30347148 DOI: 10.2210/Pdb6Htt/Pdb |
0.452 |
|
| 2018 |
Loesche A, Wiemann J, Al Halabi Z, Karasch J, Sippl W, Csuk R. Unexpected AChE inhibitory activity of (2E)α,β-unsaturated fatty acids. Bioorganic & Medicinal Chemistry Letters. PMID 30220607 DOI: 10.1016/J.Bmcl.2018.09.013 |
0.389 |
|
| 2018 |
Melesina J, Praetorius L, Simoben CV, Robaa D, Sippl W. Design of selective histone deacetylase inhibitors: rethinking classical pharmacophore. Future Medicinal Chemistry. PMID 29966452 DOI: 10.4155/Fmc-2018-0125 |
0.458 |
|
| 2018 |
Kolbinger FR, Koeneke E, Ridinger J, Heimburg T, Müller M, Bayer T, Sippl W, Jung M, Gunkel N, Miller AK, Westermann F, Witt O, Oehme I. The HDAC6/8/10 inhibitor TH34 induces DNA damage-mediated cell death in human high-grade neuroblastoma cell lines. Archives of Toxicology. PMID 29947893 DOI: 10.1007/S00204-018-2234-8 |
0.384 |
|
| 2018 |
Platzer C, Najjar A, Rohe A, Erdmann F, Sippl W, Schmidt M. Identification of PKMYT1 inhibitors by screening the GSK published protein kinase inhibitor set I and II. Bioorganic & Medicinal Chemistry. PMID 29941193 DOI: 10.1016/J.Bmc.2018.06.027 |
0.439 |
|
| 2018 |
Ripperger A, Krischer A, Robaa D, Sippl W, Benndorf RA. Pharmacogenetic Aspects of the Interaction of AT1 Receptor Antagonists With ATP-Binding Cassette Transporter . Frontiers in Pharmacology. 9: 463. PMID 29867471 DOI: 10.3389/Fphar.2018.00463 |
0.321 |
|
| 2018 |
Karaman B, Sippl W. Computational Drug Repurposing: Current Trends. Current Medicinal Chemistry. PMID 29848268 DOI: 10.2174/0929867325666180530100332 |
0.315 |
|
| 2018 |
Bayer T, Chakrabarti A, Lancelot J, Shaik TB, Hausmann K, Melesina J, Schmidtkunz K, Marek M, Erdmann F, Schmidt M, Robaa D, Romier C, Pierce RJ, Jung M, Sippl W. Synthesis, crystallization studies and in vitro characterization of novel cinnamic acid derivatives as SmHDAC8 inhibitors for the treatment of Schistosomiasis. Chemmedchem. PMID 29806110 DOI: 10.1002/Cmdc.201800238 |
0.474 |
|
| 2018 |
Simoben CV, Ntie-Kang F, Akone SH, Sippl W. Compounds from African Medicinal Plants with Activities Against Selected Parasitic Diseases: Schistosomiasis, Trypanosomiasis and Leishmaniasis. Natural Products and Bioprospecting. PMID 29744736 DOI: 10.1007/S13659-018-0165-Y |
0.342 |
|
| 2018 |
Lecointre B, Narozny R, Borrello MT, Senger J, Chakrabarti A, Jung M, Marek M, Romier C, Melesina J, Sippl W, Bischoff L, Ganesan A. Isoform-selective HDAC1/6/8 inhibitors with an imidazo-ketopiperazine cap containing stereochemical diversity. Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences. 373. PMID 29685969 DOI: 10.1098/Rstb.2017.0364 |
0.487 |
|
| 2018 |
Swyter S, Schiedel M, Monaldi D, Szunyogh S, Lehotzky A, Rumpf T, Ovádi J, Sippl W, Jung M. New chemical tools for probing activity and inhibition of the NAD-dependent lysine deacylase sirtuin 2. Philosophical Transactions of the Royal Society of London. Series B, Biological Sciences. 373. PMID 29685963 DOI: 10.1098/Rstb.2017.0083 |
0.48 |
|
| 2018 |
Chua MJ, Robaa D, Skinner-Adams TS, Sippl W, Andrews KT. Activity of bromodomain protein inhibitors/binders against asexual-stage Plasmodium falciparum parasites. International Journal For Parasitology. Drugs and Drug Resistance. 8: 189-193. PMID 29631126 DOI: 10.1016/J.Ijpddr.2018.03.001 |
0.445 |
|
| 2018 |
Shen J, Najafi S, Stäble S, Fabian J, Koeneke E, Kolbinger FR, Wrobel JK, Meder B, Distel M, Heimburg T, Sippl W, Jung M, Peterziel H, Kranz D, Boutros M, et al. A kinome-wide RNAi screen identifies ALK as a target to sensitize neuroblastoma cells for HDAC8-inhibitor treatment. Cell Death and Differentiation. PMID 29515255 DOI: 10.1038/S41418-018-0080-0 |
0.409 |
|
| 2018 |
Simoben CV, Robaa D, Chakrabarti A, Schmidtkunz K, Marek M, Lancelot J, Kannan S, Melesina J, Shaik TB, Pierce RJ, Romier C, Jung M, Sippl W. A Novel Class of Schistosoma mansoni Histone Deacetylase 8 (HDAC8) Inhibitors Identified by Structure-Based Virtual Screening and In Vitro Testing. Molecules (Basel, Switzerland). 23. PMID 29498707 DOI: 10.3390/Molecules23030566 |
0.494 |
|
| 2018 |
Kalbas D, Liebscher S, Nowak T, Meleshin M, Pannek M, Popp C, Alhalabi Z, Bordusa F, Sippl W, Steegborn C, Schutkowski M. Potent and selective inhibitors of human Sirtuin 5. Journal of Medicinal Chemistry. PMID 29494161 DOI: 10.1021/Acs.Jmedchem.7B01648 |
0.466 |
|
| 2018 |
Karaman B, Alhalabi Z, Swyter S, Mihigo SO, Andrae-Marobela K, Jung M, Sippl W, Ntie-Kang F. Identification of Bichalcones as Sirtuin Inhibitors by Virtual Screening and In Vitro Testing. Molecules (Basel, Switzerland). 23. PMID 29443909 DOI: 10.3390/Molecules23020416 |
0.454 |
|
| 2018 |
King K, Hauser AT, Melesina J, Sippl W, Jung M. Carbamates as Potential Prodrugs and a New Warhead for HDAC Inhibition. Molecules (Basel, Switzerland). 23. PMID 29393896 DOI: 10.3390/Molecules23020321 |
0.486 |
|
| 2018 |
Fischer T, Najjar K, Totzke F, Schächtele C, Sippl W, Ritter C, Hilgeroth A. Discovery of novel dual inhibitors of receptor tyrosine kinases EGFR and PDGFR-β related to anticancer drug resistance. Journal of Enzyme Inhibition and Medicinal Chemistry. 33: 1-8. PMID 29098884 DOI: 10.1080/14756366.2017.1370583 |
0.364 |
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| 2018 |
Bayer T, Chakrabarti A, Lancelot J, Shaik TB, Hausmann K, Melesina J, Schmidtkunz K, Marek M, Erdmann F, Schmidt M, Robaa D, Romier C, Pierce RJ, Jung M, Sippl W. Front Cover: Synthesis, Crystallization Studies, and in vitro Characterization of Cinnamic Acid Derivatives as Sm
HDAC8 Inhibitors for the Treatment of Schistosomiasis (ChemMedChem 15/2018) Chemmedchem. 13: 1488-1488. DOI: 10.1002/Cmdc.201800494 |
0.353 |
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| 2017 |
Schiedel M, Fallarero A, Luise C, Sippl W, Vuorela P, Jung M. Synthesis and biological evaluation of 8-hydroxy-2,7-naphthyridin-2-ium salts as novel inhibitors of acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). Medchemcomm. 8: 465-470. PMID 30108764 DOI: 10.1039/C6Md00647G |
0.457 |
|
| 2017 |
Temme L, Frehland B, Schepmann D, Robaa D, Sippl W, Wünsch B. Hydroxymethyl bioisosteres of phenolic GluN2B-selective NMDA receptor antagonists: Design, synthesis and pharmacological evaluation. European Journal of Medicinal Chemistry. 144: 672-681. PMID 29289890 DOI: 10.1016/J.Ejmech.2017.12.054 |
0.341 |
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| 2017 |
Schulz-Fincke J, Hau M, Barth J, Robaa D, Willmann D, Kürner A, Haas J, Greve G, Haydn T, Fulda S, Lübbert M, Lüdeke S, Berg T, Sippl W, Schüle R, et al. Structure-activity studies on N-Substituted tranylcypromine derivatives lead to selective inhibitors of lysine specific demethylase 1 (LSD1) and potent inducers of leukemic cell differentiation. European Journal of Medicinal Chemistry. 144: 52-67. PMID 29247860 DOI: 10.1016/J.Ejmech.2017.12.001 |
0.439 |
|
| 2017 |
Heimburg T, Kolbinger FR, Zeyen P, Ghazy E, Herp D, Schmidtkunz K, Melesina J, Shaik TB, Erdmann F, Schmidt M, Romier C, Robaa D, Witt O, Oehme I, Jung M, ... Sippl W, et al. Structure-Based Design and Biological Characterization of Selective Histone Deacetylase 8 (HDAC8) Inhibitors with Anti-Neuroblastoma Activity. Journal of Medicinal Chemistry. PMID 29190092 DOI: 10.1021/Acs.Jmedchem.7B01447 |
0.499 |
|
| 2017 |
Schmidt M, Rohe A, Platzer C, Najjar A, Erdmann F, Sippl W. Regulation of G2/M Transition by Inhibition of WEE1 and PKMYT1 Kinases. Molecules (Basel, Switzerland). 22. PMID 29168755 DOI: 10.3390/Molecules22122045 |
0.308 |
|
| 2017 |
Wünsch M, Senger J, Schultheisz P, Schwarzbich S, Schmidtkunz K, Michalek C, Klaß M, Goskowitz S, Borchert P, Praetorius L, Sippl W, Jung M, Sewald N. Structure-Activity Relationship of Propargylamine-Based HDAC Inhibitors. Chemmedchem. PMID 29120081 DOI: 10.1002/Cmdc.201700550 |
0.492 |
|
| 2017 |
Gawaskar S, Temme L, Schreiber JA, Schepmann D, Bonifazi A, Robaa D, Sippl W, Strutz-Seebohm N, Seebohm G, Wünsch B. Design, Synthesis, Pharmacological Evaluation and Docking Studies of GluN2B-Selective NMDA Receptor Antagonists with a Benzo[7]annulen-7-amine Scaffold. Chemmedchem. PMID 28749574 DOI: 10.1002/Cmdc.201700311 |
0.332 |
|
| 2017 |
Ntie-Kang F, Telukunta KK, Döring K, Simoben CV, A Moumbock AF, Malange YI, Njume LE, Yong JN, Sippl W, Günther S. NANPDB: A Resource for Natural Products from Northern African Sources. Journal of Natural Products. PMID 28641017 DOI: 10.1021/Acs.Jnatprod.7B00283 |
0.32 |
|
| 2017 |
Stenzel K, Chakrabarti A, Melesina J, Hansen FK, Lancelot J, Herkenhöhner S, Lungerich B, Marek M, Romier C, Pierce RJ, Sippl W, Jung M, Kurz T. Isophthalic Acid-Based HDAC Inhibitors as Potent Inhibitors of HDAC8 from Schistosoma mansoni. Archiv Der Pharmazie. PMID 28639720 DOI: 10.1002/Ardp.201700096 |
0.507 |
|
| 2017 |
Vojacek S, Beese K, Alhalabi Z, Swyter S, Bodtke A, Schulzke C, Jung M, Sippl W, Link A. Three-Component Aminoalkylations Yielding Dihydronaphthoxazine-Based Sirtuin Inhibitors: Scaffold Modification and Exploration of Space for Polar Side-Chains. Archiv Der Pharmazie. PMID 28547816 DOI: 10.1002/Ardp.201700097 |
0.441 |
|
| 2017 |
Wutz D, Gluhacevic D, Chakrabarti A, Schmidtkunz K, Robaa D, Erdmann F, Romier C, Sippl W, Jung M, König B. Photochromic histone deacetylase inhibitors based on dithienylethenes and fulgimides. Organic & Biomolecular Chemistry. PMID 28537315 DOI: 10.1039/C7Ob00976C |
0.486 |
|
| 2017 |
Scholte LLS, Mourão MM, Pais FS, Melesina J, Robaa D, Volpini AC, Sippl W, Pierce RJ, Oliveira G, Nahum LA. Evolutionary relationships among protein lysine deacetylases of parasites causing neglected diseases. Infection, Genetics and Evolution : Journal of Molecular Epidemiology and Evolutionary Genetics in Infectious Diseases. PMID 28506839 DOI: 10.1016/J.Meegid.2017.05.011 |
0.412 |
|
| 2017 |
Fischer T, Krüger T, Najjar A, Totzke F, Schächtele C, Sippl W, Ritter C, Hilgeroth A. Discovery of novel substituted benzo-anellated 4-benzylamino pyrrolopyrimidines as dual EGFR and VEGFR2 inhibitors. Bioorganic & Medicinal Chemistry Letters. PMID 28478927 DOI: 10.1016/J.Bmcl.2017.04.053 |
0.446 |
|
| 2017 |
Gurdal EE, Turgutalp B, Gulcan HO, Erçetin T, Sahin MF, Durmaz I, Atalay RC, Nguyen QD, Sippl W, Yarim M. Synthesis of Novel Benzothiazole-Piperazine Derivatives and Their Biological Evaluation as Acetylcholinesterase Inhibitors and Cytotoxic Agents. Anti-Cancer Agents in Medicinal Chemistry. PMID 28403780 DOI: 10.2174/1871520617666170412153604 |
0.396 |
|
| 2017 |
Schiedel M, Herp D, Hammelmann S, Swyter S, Lehotzky A, Robaa D, Olah J, Ovádi J, Sippl W, Jung M. Chemically induced degradation of sirtuin 2 (Sirt2) by a proteolysis targeting chimera (PROTAC) based on sirtuin rearranging ligands (SirReals). Journal of Medicinal Chemistry. PMID 28379698 DOI: 10.1021/Acs.Jmedchem.6B01872 |
0.399 |
|
| 2017 |
Hailu GS, Robaa D, Forgione M, Sippl W, Rotili D, Mai A. Lysine Deacetylase Inhibitors in Parasites: Past, Present and Future Perspectives. Journal of Medicinal Chemistry. PMID 28241112 DOI: 10.1021/Acs.Jmedchem.6B01595 |
0.385 |
|
| 2017 |
Hempel C, Totzke F, Schächtele C, Najjar A, Sippl W, Ritter C, Hilgeroth A. Discovery of novel dual inhibitors of receptor tyrosine kinases EGFR and IGF-1R. Journal of Enzyme Inhibition and Medicinal Chemistry. 32: 271-276. PMID 28097905 DOI: 10.1080/14756366.2016.1247062 |
0.407 |
|
| 2017 |
Schiedel M, Robaa D, Rumpf T, Sippl W, Jung M. The Current State of NAD(+) -Dependent Histone Deacetylases (Sirtuins) as Novel Therapeutic Targets. Medicinal Research Reviews. PMID 28094444 DOI: 10.1002/Med.21436 |
0.379 |
|
| 2016 |
Marek M, Shaik TB, Jung M, Sippl W, Pierce RJ, Romier C. Biologie Aujourd'Hui. 210: 311-320. PMID 28327287 DOI: 10.1051/Jbio/2017001 |
0.409 |
|
| 2016 |
Sauer B, Skinner-Adams TS, Bouchut A, Chua MJ, Pierrot C, Erdmann F, Robaa D, Schmidt M, Khalife J, Andrews KT, Sippl W. Synthesis, biological characterisation and structure activity relationships of aromatic bisamidines active against Plasmodium falciparum. European Journal of Medicinal Chemistry. 127: 22-40. PMID 28038325 DOI: 10.1016/J.Ejmech.2016.12.041 |
0.392 |
|
| 2016 |
Erdmann F, Lin W, Platzer C, Schmidt M, Sippl W, Fischer G, Zhang Y. Augmented Reversible Photoswitching of Drug-Target Interaction through "Surface Borrowing". Biochemical Pharmacology. PMID 27845048 DOI: 10.1016/J.Bcp.2016.11.011 |
0.316 |
|
| 2016 |
Robaa D, Wagner T, Luise C, Carlino L, McMillan J, Flaig R, Schüle R, Jung M, Sippl W. Identification and Structure-Activity Relationship Studies of Small-Molecule Inhibitors of the Methyllysine Reader Protein Spindlin1. Chemmedchem. PMID 27634332 DOI: 10.1002/Cmdc.201600362 |
0.507 |
|
| 2016 |
Ostrovskyi D, Rumpf T, Eib J, Lumbroso A, Slynko I, Klaeger S, Heinzlmeir S, Forster M, Gehringer M, Pfaffenrot E, Bauer SM, Schmidtkunz K, Wenzler S, Metzger E, Kuster B, ... ... Sippl W, et al. Tofacitinib and analogs as inhibitors of the histone kinase PRK1 (PKN1). Future Medicinal Chemistry. PMID 27572962 DOI: 10.4155/Fmc-2016-0132 |
0.446 |
|
| 2016 |
Chakrabarti A, Melesina J, Kolbinger FR, Oehme I, Senger J, Witt O, Sippl W, Jung M. Targeting histone deacetylase 8 as a therapeutic approach to cancer and neurodegenerative diseases. Future Medicinal Chemistry. PMID 27572818 DOI: 10.4155/Fmc-2016-0117 |
0.446 |
|
| 2016 |
Slynko I, Schmidtkunz K, Rumpf T, Klaeger S, Heinzlmeir S, Najar A, Metzger E, Kuster B, Schüle R, Jung M, Sippl W. Identification of Highly Potent Protein Kinase C-Related Kinase 1 Inhibitors by Virtual Screening, Binding Free Energy Rescoring, and in vitro Testing. Chemmedchem. PMID 27472906 DOI: 10.1002/Cmdc.201600284 |
0.485 |
|
| 2016 |
Ntie-Kang F, Simoben CV, Karaman B, Ngwa VF, Judson PN, Sippl W, Mbaze LM. Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants. Drug Design, Development and Therapy. 10: 2137-54. PMID 27445461 DOI: 10.2147/Dddt.S108118 |
0.411 |
|
| 2016 |
Tell V, Hilbrich I, Holzer M, Totzke F, Schächtele C, Slynko I, Sippl W, Hilgeroth A. Drug Development of Small-Molecule Inhibitors of AD-Relevant Kinases as Novel Perspective Multitargeted Approach. Current Alzheimer Research. PMID 27306698 DOI: 10.2174/1567205013666160615091821 |
0.391 |
|
| 2016 |
Roatsch M, Robaa D, Pippel M, Nettleship JE, Reddivari Y, Bird LE, Hoffmann I, Franz H, Owens RJ, Schüle R, Flaig R, Sippl W, Jung M. Substituted 2-(2-aminopyrimidin-4-yl)pyridine-4-carboxylates as potent inhibitors of JumonjiC domain-containing histone demethylases. Future Medicinal Chemistry. PMID 26971619 DOI: 10.4155/Fmc.15.188 |
0.442 |
|
| 2016 |
Heimburg T, Chakrabarti A, Lancelot J, Marek M, Melesina J, Hauser AT, Shaik TB, Duclaud S, Robaa D, Erdmann F, Schmidt M, Romier C, Pierce RJ, Jung M, Sippl W. Structure-Based Design and Synthesis of Novel Inhibitors targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis. Journal of Medicinal Chemistry. PMID 26937828 DOI: 10.1021/Acs.Jmedchem.5B01478 |
0.488 |
|
| 2016 |
Tangherlini G, Torregrossa T, Agoglitta O, Köhler J, Melesina J, Sippl W, Holl R. Synthesis and biological evaluation of enantiomerically pure glyceric acid derivatives as LpxC inhibitors. Bioorganic & Medicinal Chemistry. PMID 26827141 DOI: 10.1016/J.Bmc.2016.01.029 |
0.325 |
|
| 2016 |
Schiedel M, Rumpf T, Karaman B, Lehotzky A, Gerhardt S, Ovádi J, Sippl W, Einsle O, Jung M. Structure-Based Development of an Affinity Probe for Sirtuin 2. Angewandte Chemie (International Ed. in English). PMID 26748890 DOI: 10.1002/Anie.201509843 |
0.403 |
|
| 2016 |
Oelze M, Kluwe FI, Wersig T, Sippl W, Hilgeroth A, Ritter CA. Abstract 5066: Impact of Brk-inhibitors on nondirectional and directed migration of breast cancer cells Cancer Research. 76: 5066-5066. DOI: 10.1158/1538-7445.Am2016-5066 |
0.324 |
|
| 2016 |
Kolbinger F, Koeneke E, Senger J, Heimburg T, Bayer T, Jung M, Sippl W, Marek M, Romier C, Gunkel N, Miller A, Sehr P, Witt O, Oehme I. Development of novel HDAC inhibitors to selectively co-inhibit HDAC8 and HDAC10 in childhood cancer Klinische PäDiatrie. 228. DOI: 10.1055/S-0036-1582523 |
0.429 |
|
| 2016 |
Hempel C, Najjar A, Totzke F, Schächtele C, Sippl W, Ritter C, Hilgeroth A. Discovery of dually acting small-molecule inhibitors of cancer-resistance relevant receptor tyrosine kinases EGFR and IGF-1R Medchemcomm. 7: 2159-2166. DOI: 10.1039/C6Md00329J |
0.403 |
|
| 2015 |
Uengwetwanit T, Robaa D, Sippl W. Analysis of the Resistance of Hepatitis C Virus NS5B Polymerase Inhibitors via Docking and Molecular Dynamics Simulation. Molecular Informatics. 34: 78-83. PMID 27490030 DOI: 10.1002/Minf.201400048 |
0.364 |
|
| 2015 |
Simon RP, Robaa D, Alhalabi Z, Sippl W, Jung M. KATching-up on Small Molecule Modulators of Lysine Acetyltransferases. Journal of Medicinal Chemistry. PMID 26701186 DOI: 10.1021/Acs.Jmedchem.5B01502 |
0.426 |
|
| 2015 |
Wang L, Kofler M, Brosch G, Melesina J, Sippl W, Martinez ED, Easmon J. 2-Benzazolyl-4-Piperazin-1-Ylsulfonylbenzenecarbohydroxamic Acids as Novel Selective Histone Deacetylase-6 Inhibitors with Antiproliferative Activity. Plos One. 10: e0134556. PMID 26698121 DOI: 10.1371/Journal.Pone.0134556 |
0.43 |
|
| 2015 |
Schiedel M, Rumpf T, Karaman B, Lehotzky A, Oláh J, Gerhardt S, Ovádi J, Sippl W, Einsle O, Jung M. Aminothiazoles as potent and selective Sirt2 inhibitors - a structure-activity relationship study. Journal of Medicinal Chemistry. PMID 26696402 DOI: 10.1021/Acs.Jmedchem.5B01517 |
0.454 |
|
| 2015 |
Senger J, Melesina J, Marek M, Romier C, Oehme I, Witt O, Sippl W, Jung M. Synthesis and biological investigation of oxazole hydroxamates as highly selective histone deacetylase 6 (HDAC6) inhibitors. Journal of Medicinal Chemistry. PMID 26653328 DOI: 10.1021/Acs.Jmedchem.5B01493 |
0.463 |
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| 2015 |
Melesina J, Robaa D, Pierce RJ, Romier C, Sippl W. Homology modeling of parasite histone deacetylases to guide the structure-based design of selective inhibitors. Journal of Molecular Graphics & Modelling. 62: 342-361. PMID 26595183 DOI: 10.1016/J.Jmgm.2015.10.006 |
0.431 |
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| 2015 |
Gawaskar S, Schepmann D, Bonifazi A, Robaa D, Sippl W, Wünsch B. Benzo[7]annulene-based GluN2B selective NMDA receptor antagonists: Surprising effect of a nitro group in 2-position. Bioorganic & Medicinal Chemistry Letters. PMID 26531150 DOI: 10.1016/J.Bmcl.2015.10.076 |
0.333 |
|
| 2015 |
Motlagh L, Golbik R, Sippl W, Zierz S. Malony-CoA inhibits the S113L variant of carnitine-palmitoyltransferase II. Biochimica Et Biophysica Acta. 1861: 34-40. PMID 26477380 DOI: 10.1016/J.Bbalip.2015.10.005 |
0.34 |
|
| 2015 |
Rüben K, Wurzlbauer A, Walte A, Sippl W, Bracher F, Becker W. Selectivity Profiling and Biological Activity of Novel β-Carbolines as Potent and Selective DYRK1 Kinase Inhibitors. Plos One. 10: e0132453. PMID 26192590 DOI: 10.1371/Journal.Pone.0132453 |
0.43 |
|
| 2015 |
Rohe A, Platzer C, Masch A, Greiner S, Henze C, Ihling C, Erdmann F, Schutkowski M, Sippl W, Schmidt M. Identification of peptidic substrates for the human kinase Myt1 using peptide microarrays. Bioorganic & Medicinal Chemistry. 23: 4936-42. PMID 26059593 DOI: 10.1016/J.Bmc.2015.05.021 |
0.335 |
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| 2015 |
Chakrabarti A, Oehme I, Witt O, Oliveira G, Sippl W, Romier C, Pierce RJ, Jung M. HDAC8: a multifaceted target for therapeutic interventions. Trends in Pharmacological Sciences. 36: 481-92. PMID 26013035 DOI: 10.1016/J.Tips.2015.04.013 |
0.425 |
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| 2015 |
Marek M, Oliveira G, Pierce RJ, Jung M, Sippl W, Romier C. Drugging the schistosome zinc-dependent HDACs: current progress and future perspectives. Future Medicinal Chemistry. 7: 783-800. PMID 25996070 DOI: 10.4155/Fmc.15.25 |
0.395 |
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| 2015 |
Lancelot J, Cabezas-Cruz A, Caby S, Marek M, Schultz J, Romier C, Sippl W, Jung M, Pierce RJ. Schistosome sirtuins as drug targets. Future Medicinal Chemistry. 7: 765-82. PMID 25996069 DOI: 10.4155/Fmc.15.24 |
0.376 |
|
| 2015 |
Karaman B, Sippl W. Docking and binding free energy calculations of sirtuin inhibitors. European Journal of Medicinal Chemistry. 93: 584-98. PMID 25748123 DOI: 10.1016/J.Ejmech.2015.02.045 |
0.47 |
|
| 2015 |
Rumpf T, Schiedel M, Karaman B, Roessler C, North BJ, Lehotzky A, Oláh J, Ladwein KI, Schmidtkunz K, Gajer M, Pannek M, Steegborn C, Sinclair DA, Gerhardt S, Ovádi J, ... ... Sippl W, et al. Selective Sirt2 inhibition by ligand-induced rearrangement of the active site. Nature Communications. 6: 6263. PMID 25672491 DOI: 10.1038/Ncomms7263 |
0.45 |
|
| 2015 |
Schiedel M, Marek M, Lancelot J, Karaman B, Almlöf I, Schultz J, Sippl W, Pierce RJ, Romier C, Jung M. Fluorescence-based screening assays for the NAD⁺-dependent histone deacetylase smSirt2 from Schistosoma mansoni. Journal of Biomolecular Screening. 20: 112-21. PMID 25325257 DOI: 10.1177/1087057114555307 |
0.428 |
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| 2015 |
Rohe A, Göllner C, Erdmann F, Sippl W, Schmidt M. The glycoglycerolipid 1,2-dipalmitoyl-3-(N-palmitoyl-6'-amino-6'-deoxy-α-d-glucosyl)-sn-glycerol is no inhibitor of the human Myt1 kinase. Journal of Enzyme Inhibition and Medicinal Chemistry. 30: 514-7. PMID 24939100 DOI: 10.3109/14756366.2014.926343 |
0.416 |
|
| 2015 |
Ntie-Kang F, Simoben CV, Lifongo LL, Judson PN, Mbaze LM, Sippl W. Exploring ethnobotanical uses of the African flora for the search of target-based anti-cancer agents using mechanism-based assays F1000research. 4. DOI: 10.7490/F1000Research.1111092.1 |
0.305 |
|
| 2015 |
Schulz-Fincke J, Schmitt ML, Carlino L, Haydn T, Willmann D, Metzger E, Fulda S, Schüle R, Sippl W, Jung M. Abstract B81: Analogues of the chromenone namoline as inhibitors of lysine specific demethylase 1 (LSD1) Molecular Cancer Therapeutics. 14. DOI: 10.1158/1535-7163.Targ-15-B81 |
0.488 |
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| 2015 |
Jung M, Chakrabarti A, Heimbach T, Sippl W, Marek M, Romier C, Oehme I, Witt O. Abstract B80: New inhibitors of histone deacetylase 8 (HDAC8) as anticancer agents Molecular Cancer Therapeutics. 14. DOI: 10.1158/1535-7163.Targ-15-B80 |
0.476 |
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| 2015 |
Babiaka SB, Ntie-Kang F, Ndingkokhar B, Mbah JA, Sippl W, Yong JN. The chemistry and bioactivity of Southern African flora II: Flavonoids, quinones and minor compound classes Rsc Advances. 5: 57704-57720. DOI: 10.1039/C5Ra05524E |
0.305 |
|
| 2014 |
Kannan S, Melesina J, Hauser AT, Chakrabarti A, Heimburg T, Schmidtkunz K, Walter A, Marek M, Pierce RJ, Romier C, Jung M, Sippl W. Discovery of inhibitors of Schistosoma mansoni HDAC8 by combining homology modeling, virtual screening, and in vitro validation. Journal of Chemical Information and Modeling. 54: 3005-19. PMID 25243797 DOI: 10.1021/Ci5004653 |
0.464 |
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| 2014 |
Ntie-Kang F, Nwodo JN, Ibezim A, Simoben CV, Karaman B, Ngwa VF, Sippl W, Adikwu MU, Mbaze LMa. Molecular modeling of potential anticancer agents from African medicinal plants Journal of Chemical Information and Modeling. 54: 2433-2450. PMID 25116740 DOI: 10.1021/Ci5003697 |
0.408 |
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| 2014 |
Roessler C, Nowak T, Pannek M, Gertz M, Nguyen GTT, Scharfe M, Born I, Sippl W, Steegborn C, Schutkowski M. Chemical probing of the human sirtuin 5 active site reveals its substrate acyl specificity and peptide-based inhibitors Angewandte Chemie - International Edition. 53: 10728-10732. PMID 25111069 DOI: 10.1002/Anie.201402679 |
0.372 |
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| 2014 |
Schmitt ML, Ladwein KI, Carlino L, Schulz-Fincke J, Willmann D, Metzger E, Schilcher P, Imhof A, Schüle R, Sippl W, Jung M. Heterogeneous Antibody-Based Activity Assay for Lysine Specific Demethylase 1 (LSD1) on a Histone Peptide Substrate. Journal of Biomolecular Screening. 19: 973-978. PMID 24687155 DOI: 10.1177/1087057114529156 |
0.422 |
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| 2014 |
Stolfa DA, Marek M, Lancelot J, Hauser AT, Walter A, Leproult E, Melesina J, Rumpf T, Wurtz JM, Cavarelli J, Sippl W, Pierce RJ, Romier C, Jung M. Molecular basis for the antiparasitic activity of a mercaptoacetamide derivative that inhibits histone deacetylase 8 (HDAC8) from the human pathogen schistosoma mansoni. Journal of Molecular Biology. 426: 3442-53. PMID 24657767 DOI: 10.1016/J.Jmb.2014.03.007 |
0.473 |
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| 2014 |
Mahmoud KA, Krug M, Wersig T, Slynko I, Schächtele C, Totzke F, Sippl W, Hilgeroth A. Discovery of 4-anilino α-carbolines as novel Brk inhibitors Bioorganic and Medicinal Chemistry Letters. 24: 1948-1951. PMID 24650640 DOI: 10.1016/J.Bmcl.2014.03.002 |
0.425 |
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| 2014 |
Wichapong K, Rohe A, Platzer C, Slynko I, Erdmann F, Schmidt M, Sippl W. Application of docking and QM/MM-GBSA rescoring to screen for novel Myt1 kinase inhibitors Journal of Chemical Information and Modeling. 54: 881-893. PMID 24490903 DOI: 10.1021/Ci4007326 |
0.441 |
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| 2014 |
Ntie-Kang F, Lifongo LL, Judson PN, Sippl W, Efange SMN. How "drug-like" are naturally occurring anti-cancer compounds? Journal of Molecular Modeling. 20. PMID 24452907 DOI: 10.1007/S00894-014-2069-Z |
0.342 |
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| 2014 |
Wagner T, Robaa D, Sippl W, Jung M. Mind the methyl: Methyllysine binding proteins in epigenetic regulation Chemmedchem. 9: 466-483. PMID 24449612 DOI: 10.1002/Cmdc.201300422 |
0.356 |
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| 2014 |
Szermerski M, Melesina J, Wichapong K, Löppenberg M, Jose J, Sippl W, Holl R. Synthesis, biological evaluation and molecular docking studies of benzyloxyacetohydroxamic acids as LpxC inhibitors Bioorganic and Medicinal Chemistry. 22: 1016-1028. PMID 24412340 DOI: 10.1016/J.Bmc.2013.12.057 |
0.402 |
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| 2014 |
Slynko I, Scharfe M, Rumpf T, Eib J, Metzger E, Schüle R, Jung M, Sippl W. Virtual screening of PRK1 inhibitors: Ensemble docking, rescoring using binding free energy calculation and QSAR model development Journal of Chemical Information and Modeling. 54: 138-150. PMID 24377786 DOI: 10.1021/Ci400628Q |
0.475 |
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| 2014 |
Ntie-Kang F, Kannan S, Wichapong K, Owono Owono LC, Sippl W, Megnassan E. Binding of pyrazole-based inhibitors to Mycobacterium tuberculosis pantothenate synthetase: Docking and MM-GB(PB)SA analysis Molecular Biosystems. 10: 223-239. PMID 24240974 DOI: 10.1039/C3Mb70449A |
0.464 |
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| 2014 |
Rohe A, Henze C, Erdmann F, Sippl W, Schmidt M. A fluorescence anisotropy-based Myt1 kinase binding assay Assay and Drug Development Technologies. 12: 136-144. PMID 24229357 DOI: 10.1089/adt.2013.534 |
0.307 |
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| 2014 |
Falenczyk C, Schiedel M, Karaman B, Rumpf T, Kuzmanovic N, Grøtli M, Sippl W, Jung M, König B. Chromo-pharmacophores: Photochromic diarylmaleimide inhibitors for sirtuins Chemical Science. 5: 4794-4799. DOI: 10.1039/C4Sc01346H |
0.429 |
|
| 2014 |
Simoben CV, Ntie-Kang F, Lifongo LL, Babiaka SB, Sippl W, Mbaze LMA. The uniqueness and therapeutic value of natural products from West African medicinal plants, part III: Least abundant compound classes Rsc Advances. 4: 40095-40110. DOI: 10.1039/C4Ra05376A |
0.312 |
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| 2014 |
Ntie-Kang F, Lifongo LL, Simoben CV, Babiaka SB, Sippl W, Mbaze LMA. The uniqueness and therapeutic value of natural products from West African medicinal plants, part II: Terpenoids, geographical distribution and drug discovery Rsc Advances. 4: 35348-35370. DOI: 10.1039/C4Ra04543B |
0.303 |
|
| 2014 |
Furdas SD, Hoffmann I, Robaa D, Herquel B, Malinka W, ?wi?tek P, Akhtar A, Sippl W, Jung M. Pyrido- and benzisothiazolones as inhibitors of histone acetyltransferases (HATs) Medchemcomm. 5: 1856-1862. DOI: 10.1039/C4Md00245H |
0.469 |
|
| 2014 |
Mahmoud KA, Wersig T, Slynko I, Totzke F, Schächtele C, Oelze M, Sippl W, Ritter C, Hilgeroth A. Novel inhibitors of breast cancer relevant kinases Brk and HER2 Medchemcomm. 5: 659-664. DOI: 10.1039/C4Md00028E |
0.396 |
|
| 2014 |
Ntie-Kang F, Onguéné PA, Scharfe M, Owono Owono LC, Megnassan E, Mbaze LMA, Sippl W, Efange SMN. ConMedNP: A natural product library from Central African medicinal plants for drug discovery Rsc Advances. 4: 409-419. DOI: 10.1039/C3Ra43754J |
0.35 |
|
| 2013 |
Amoa Onguéné P, Ntie-Kang F, Lifongo LL, Ndom JC, Sippl W, Mbaze LMA. The potential of anti-malarial compounds derived from African medicinal plants, part I: A pharmacological evaluation of alkaloids and terpenoids Malaria Journal. 12. PMID 24330395 DOI: 10.1186/1475-2875-12-449 |
0.339 |
|
| 2013 |
Ntie-Kang F, Zofou D, Babiaka SB, Meudom R, Scharfe M, Lifongo LL, Mbah JA, Mbaze LMa, Sippl W, Efange SMN. AfroDb: a select highly potent and diverse natural product library from African medicinal plants. Plos One. 8. PMID 24205103 DOI: 10.1371/Journal.Pone.0078085 |
0.382 |
|
| 2013 |
Wichapong K, Nueangaudom A, Pianwanit S, Sippl W, Kokpol S. Identification of potential hit compounds for Dengue virus NS2B/NS3 protease inhibitors by combining virtual screening and binding free energy calculations Tropical Biomedicine. 30: 388-408. PMID 24189670 |
0.335 |
|
| 2013 |
Marek M, Kannan S, Hauser AT, Moraes Mourão M, Caby S, Cura V, Stolfa DA, Schmidtkunz K, Lancelot J, Andrade L, Renaud JP, Oliveira G, Sippl W, Jung M, Cavarelli J, et al. Structural Basis for the Inhibition of Histone Deacetylase 8 (HDAC8), a Key Epigenetic Player in the Blood Fluke Schistosoma mansoni Plos Pathogens. 9. PMID 24086136 DOI: 10.1371/Journal.Ppat.1003645 |
0.471 |
|
| 2013 |
Schmitt ML, Hauser AT, Carlino L, Pippel M, Schulz-Fincke J, Metzger E, Willmann D, Yiu T, Barton M, Schüle R, Sippl W, Jung M. Nonpeptidic propargylamines as inhibitors of lysine specific demethylase 1 (LSD1) with cellular activity Journal of Medicinal Chemistry. 56: 7334-7342. PMID 24007511 DOI: 10.1021/Jm400792M |
0.461 |
|
| 2013 |
Schmitt ML, Hauser AT, Carlino L, Pippel M, Schulz-Fincke J, Metzger E, Willmann D, Yiu T, Barton M, Schüle R, Sippl W, Jung M. Nonpeptidic propargylamines as inhibitors of lysine specific demethylase 1 (LSD1) with cellular activity Journal of Medicinal Chemistry. 56: 7334-7342. PMID 24007511 DOI: 10.1021/jm400792m |
0.356 |
|
| 2013 |
Ntie-Kang F, Mbah JA, Mbaze LMa, Lifongo LL, Scharfe M, Hanna JN, Cho-Ngwa F, Onguéné PA, Owono LCO, Megnassan E, Sippl W, Efange SMN. CamMedNP: Building the Cameroonian 3D structural natural products database for virtual screening Bmc Complementary and Alternative Medicine. 13. PMID 23590173 DOI: 10.1186/1472-6882-13-88 |
0.382 |
|
| 2013 |
Rohe A, Göllner C, Wichapong K, Erdmann F, Al-Mazaideh GMA, Sippl W, Schmidt M. Evaluation of potential Myt1 kinase inhibitors by TR-FRET based binding assay European Journal of Medicinal Chemistry. 61: 41-48. PMID 22770610 DOI: 10.1016/J.Ejmech.2012.06.007 |
0.433 |
|
| 2013 |
Carlino L, Schmitt ML, Jung M, Sippl W. Ligand-based and structure-based design of novel histone demethylase inhibitors Journal of Cheminformatics. 5: 41. DOI: 10.1186/1758-2946-5-S1-P41 |
0.459 |
|
| 2013 |
Scharfe M, Pippel M, Sippl W. ParaDockS - an open-source framework for molecular docking: implementation of target-class-specific scoring methods Journal of Cheminformatics. 5: 11. DOI: 10.1186/1758-2946-5-S1-P11 |
0.358 |
|
| 2012 |
Maurer B, Rumpf T, Scharfe M, Stolfa DA, Schmitt ML, He W, Verdin E, Sippl W, Jung M. Inhibitors of the NAD(+)-Dependent Protein Desuccinylase and Demalonylase Sirt5. Acs Medicinal Chemistry Letters. 3: 1050-3. PMID 24900427 DOI: 10.1021/Ml3002709 |
0.481 |
|
| 2012 |
Hoffmann I, Roatsch M, Schmitt ML, Carlino L, Pippel M, Sippl W, Jung M. The role of histone demethylases in cancer therapy Molecular Oncology. 6: 683-703. PMID 22902149 DOI: 10.1016/J.Molonc.2012.07.004 |
0.41 |
|
| 2012 |
Abromeit H, Kannan S, Sippl W, Scriba GKE. A new nonpeptide substrate of human sirtuin in a capillary electrophoresis-based assay. Investigation of the binding mode by docking experiments Electrophoresis. 33: 1652-1659. PMID 22736369 DOI: 10.1002/Elps.201100641 |
0.373 |
|
| 2012 |
Köhler J, Erlenkamp G, Eberlin A, Rumpf T, Slynko I, Metzger E, Schüle R, Sippl W, Jung M. Lestaurtinib inhibits histone phosphorylation and androgen-dependent gene expression in prostate cancer cells Plos One. 7. PMID 22532837 DOI: 10.1371/Journal.Pone.0034973 |
0.42 |
|
| 2012 |
Reverdy C, Conrath S, Lopez R, Planquette C, Atmanene C, Collura V, Harpon J, Battaglia V, Vivat V, Sippl W, Colland F. Discovery of specific inhibitors of human USP7/HAUSP deubiquitinating enzyme Chemistry and Biology. 19: 467-477. PMID 22520753 DOI: 10.1016/J.Chembiol.2012.02.007 |
0.433 |
|
| 2012 |
Furdas SD, Kannan S, Sippl W, Jung M. Small molecule inhibitors of histone acetyltransferases as epigenetic tools and drug candidates. Archiv Der Pharmazie. 345: 7-21. PMID 22234972 DOI: 10.1002/Ardp.201100209 |
0.402 |
|
| 2012 |
Rohe A, Erdmann F, Bäßler C, Wichapong K, Sippl W, Schmidt M. In vitro and in silico studies on substrate recognition and acceptance of human PKMYT1, a Cdk1 inhibitory kinase Bioorganic and Medicinal Chemistry Letters. 22: 1219-1223. PMID 22189141 DOI: 10.1016/J.Bmcl.2011.11.064 |
0.319 |
|
| 2012 |
Wichapong K, Sippl W. Postprocessing of molecular docking poses using binding free energy calculations Journal of Cheminformatics. 4: 42. DOI: 10.1186/1758-2946-4-S1-P42 |
0.413 |
|
| 2012 |
Scharfe M, Pippel M, Sippl W. Development of target-biased scoring functions for protein-ligand docking Journal of Cheminformatics. 4: 35. DOI: 10.1186/1758-2946-4-S1-P35 |
0.338 |
|
| 2012 |
Pippel M, Scharfe M, Meier R, Sippl W. ParaDockS – an open source framework for molecular docking Journal of Cheminformatics. 4: 1-1. DOI: 10.1186/1758-2946-4-S1-F3 |
0.353 |
|
| 2012 |
Tell V, Mahmoud KA, Wichapong K, Schächtele C, Totzke F, Sippl W, Hilgeroth A. Novel aspects in structure-activity relationships of profiled 1-aza-9-oxafluorenes as inhibitors of Alzheimer's disease-relevant kinases cdk1, cdk5 and gsk3β Medchemcomm. 3: 1413-1418. DOI: 10.1039/C2Md20201H |
0.387 |
|
| 2012 |
Furdas SD, Shekfeh S, Kannan S, Sippl W, Jung M. Rhodanine carboxylic acids as novel inhibitors of histone acetyltransferases Medchemcomm. 3: 305-311. DOI: 10.1039/C2Md00211F |
0.81 |
|
| 2012 |
Uciechowska U, Schemies J, Scharfe M, Lawson M, Wichapong K, Jung M, Sippl W. Binding free energy calculations and biological testing of novel thiobarbiturates as inhibitors of the human NAD + dependent histone deacetylase Sirt2 Medchemcomm. 3: 167-173. DOI: 10.1039/C1Md00214G |
0.398 |
|
| 2012 |
Furdas SD, Carlino L, Sippl W, Jung M. Inhibition of bromodomain-mediated protein-protein interactions as a novel therapeutic strategy Medchemcomm. 3: 123-134. DOI: 10.1039/C1Md00201E |
0.423 |
|
| 2012 |
Furdas SD, Kannan S, Sippl W, Jung M. Small molecule inhibitors of histone acetyltransferases as epigenetic tools and drug candidates Archiv Der Pharmazie. 345: 7-21. DOI: 10.1002/ardp.201100209 |
0.302 |
|
| 2011 |
Küblbeck J, Jyrkkärinne J, Molnár F, Kuningas T, Patel J, Windshügel B, Nevalainen T, Laitinen T, Sippl W, Poso A, Honkakoski P. New in vitro tools to study human constitutive androstane receptor (CAR) biology: Discovery and comparison of human CAR inverse agonists Molecular Pharmaceutics. 8: 2424-2433. PMID 22044162 DOI: 10.1021/Mp2003658 |
0.353 |
|
| 2011 |
Bajorath J, Barreca ML, Bender A, Bryce R, Hutter M, Laggner C, Laughton C, Martin Y, Mitchell J, Padova A, Renner S, Selzer PM, Sherman W, Sippl W, Taft C, et al. Ask the experts: focus on computational chemistry. Future Medicinal Chemistry. 3: 909-921. PMID 21707395 DOI: 10.4155/Fmc.11.57 |
0.317 |
|
| 2011 |
Sippl W, Jung M. Epigenetic drug discovery special issue Bioorganic and Medicinal Chemistry. 19: 3603-3604. PMID 21663827 DOI: 10.1016/J.Bmc.2011.05.053 |
0.304 |
|
| 2011 |
Sippl W, Collura V, Colland F. Ubiquitin-specific proteases as cancer drug targets Future Oncology. 7: 619-632. PMID 21568678 DOI: 10.2217/Fon.11.39 |
0.355 |
|
| 2011 |
Pesnot T, Kempter J, Schemies J, Pergolizzi G, Uciechowska U, Rumpf T, Sippl W, Jung M, Wagner GK. Two-step synthesis of novel, bioactive derivatives of the ubiquitous cofactor nicotinamide adenine dinucleotide (NAD) Journal of Medicinal Chemistry. 54: 3492-3499. PMID 21528845 DOI: 10.1021/Jm1013852 |
0.391 |
|
| 2011 |
Bissinger EM, Heinke R, Spannhoff A, Eberlin A, Metzger E, Cura V, Hassenboehler P, Cavarelli J, Schüle R, Bedford MT, Sippl W, Jung M. Acyl derivatives of p-aminosulfonamides and dapsone as new inhibitors of the arginine methyltransferase hPRMT1 Bioorganic and Medicinal Chemistry. 19: 3717-3731. PMID 21440447 DOI: 10.1016/J.Bmc.2011.02.032 |
0.462 |
|
| 2011 |
Bissinger EM, Heinke R, Spannhoff A, Eberlin A, Metzger E, Cura V, Hassenboehler P, Cavarelli J, Schüle R, Bedford MT, Sippl W, Jung M. Acyl derivatives of p-aminosulfonamides and dapsone as new inhibitors of the arginine methyltransferase hPRMT1 Bioorganic and Medicinal Chemistry. 19: 3717-3731. PMID 21440447 DOI: 10.1016/j.bmc.2011.02.032 |
0.357 |
|
| 2011 |
Schlimme S, Hauser AT, Carafa V, Heinke R, Kannan S, Stolfa DA, Cellamare S, Carotti A, Altucci L, Jung M, Sippl W. Carbamate Prodrug Concept for Hydroxamate HDAC Inhibitors Chemmedchem. 6: 1193-1198. PMID 21416613 DOI: 10.1002/Cmdc.201100007 |
0.433 |
|
| 2011 |
Furdas SD, Shekfeh S, Bissinger EM, Wagner JM, Schlimme S, Valkov V, Hendzel M, Jung M, Sippl W. Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors Bioorganic and Medicinal Chemistry. 19: 3678-3689. PMID 21353783 DOI: 10.1016/J.Bmc.2011.01.063 |
0.809 |
|
| 2011 |
Furdas SD, Shekfeh S, Bissinger EM, Wagner JM, Schlimme S, Valkov V, Hendzel M, Jung M, Sippl W. Synthesis and biological testing of novel pyridoisothiazolones as histone acetyltransferase inhibitors Bioorganic and Medicinal Chemistry. 19: 3678-3689. PMID 21353783 DOI: 10.1016/J.Bmc.2011.01.063 |
0.809 |
|
| 2011 |
Heinke R, Carlino L, Kannan S, Jung M, Sippl W. Computer- and structure-based lead design for epigenetic targets Bioorganic and Medicinal Chemistry. 19: 3605-3615. PMID 21316248 DOI: 10.1016/J.Bmc.2011.01.029 |
0.398 |
|
| 2011 |
Krug M, Wichapong K, Erlenkamp G, Sippl W, Schächtele C, Totzke F, Hilgeroth A. Discovery of 4-Benzylamino-Substituted α-Carbolines as a Novel Class of Receptor Tyrosine Kinase Inhibitors Chemmedchem. 6: 63-72. PMID 21140395 DOI: 10.1002/Cmdc.201000384 |
0.427 |
|
| 2011 |
Maurer B, Mathias U, Papatheodorou P, Shekfeh S, Orth J, Jank T, Schwan C, Sippl W, Aktories K, Jung M. From cosubstrate similarity to inhibitor diversity-Inhibitors of ADP-ribosyltransferases from kinase inhibitor screening Molecular Biosystems. 7: 799-808. PMID 21132207 DOI: 10.1039/C0Mb00151A |
0.801 |
|
| 2011 |
Becker W, Sippl W. Activation, regulation, and inhibition of DYRK1A Febs Journal. 278: 246-256. PMID 21126318 DOI: 10.1111/J.1742-4658.2010.07956.X |
0.368 |
|
| 2011 |
Scharfe M, Maurer B, Aktories K, Jung M, Sippl W. Docking and virtual screening of novel inhibitors for mono-ADP-ribosylating toxins Journal of Cheminformatics. 3. DOI: 10.1186/1758-2946-3-S1-P38 |
0.485 |
|
| 2011 |
Pippel M, Meier R, Sippl W. PARADOCKS - A framework for molecular docking Journal of Cheminformatics. 3. DOI: 10.1186/1758-2946-3-S1-P35 |
0.321 |
|
| 2010 |
Lindner M, Sippl W, Radwan AA. Pharmacophore elucidation and molecular docking studies on 5-phenyl-1-(3-pyridyl)-1h-1,2,4-triazole-3-carboxylic acid derivatives as COX-2 inhibitors. Scientia Pharmaceutica. 78: 195-214. PMID 21179343 DOI: 10.3797/Scipharm.0912-19 |
0.328 |
|
| 2010 |
Lindner M, Sippl W, Radwan AA. Pharmacophore elucidation and molecular docking studies on 5-phenyl-1-(3-pyridyl)-1h-1,2,4-triazole-3-carboxylic acid derivatives as COX-2 inhibitors. Scientia Pharmaceutica. 78: 195-214. PMID 21179343 DOI: 10.3797/Scipharm.0912-19 |
0.328 |
|
| 2010 |
Krug M, Erlenkamp G, Sippl W, Schächtele C, Totzke F, Hilgeroth A. Discovery and selectivity-profiling of 4-benzylamino 1-aza-9-oxafluorene derivatives as lead structures for IGF-1R inhibitors Bioorganic and Medicinal Chemistry Letters. 20: 6915-6919. PMID 21035334 DOI: 10.1016/J.Bmcl.2010.10.004 |
0.399 |
|
| 2010 |
Wichapong K, Lawson M, Pianwanit S, Kokpol S, Sippl W. Postprocessing of protein-ligand docking poses using linear response MM-PB/SA: application to Wee1 kinase inhibitors. Journal of Chemical Information and Modeling. 50: 1574-88. PMID 20712342 DOI: 10.1021/Ci1002153 |
0.441 |
|
| 2010 |
Lawson M, Uciechowska U, Schemies J, Rumpf T, Jung M, Sippl W. Inhibitors to understand molecular mechanisms of NAD+-dependent deacetylases (sirtuins) Biochimica Et Biophysica Acta - Gene Regulatory Mechanisms. 1799: 726-739. PMID 20601279 DOI: 10.1016/J.Bbagrm.2010.06.003 |
0.425 |
|
| 2010 |
Heinke R, Sippl W. The most potent drugs for cancerous diseases: Development of histone deacetylase inhibitors | Potente wirkstoffe vor allem bei krebserkrankungen: Entwicklung von histon-desacetylaseinhibitoren Pharmazie in Unserer Zeit. 39: 183-189. PMID 20425772 DOI: 10.1002/Pauz.201000364 |
0.428 |
|
| 2010 |
Heinke R, Sippl W. The most potent drugs for cancerous diseases: Development of histone deacetylase inhibitors | Potente wirkstoffe vor allem bei krebserkrankungen: Entwicklung von histon-desacetylaseinhibitoren Pharmazie in Unserer Zeit. 39: 183-189. PMID 20425772 DOI: 10.1002/pauz.201000364 |
0.316 |
|
| 2010 |
Meier R, Pippel M, Brandt F, Sippl W, Baldauf C. ParaDockS: A framework for molecular docking with population-based metaheuristics Journal of Chemical Information and Modeling. 50: 879-889. PMID 20415499 DOI: 10.1021/Ci900467X |
0.346 |
|
| 2010 |
Vogel M, Lawson M, Sippl W, Conrad U, Roos W. Structure and mechanism of sanguinarine reductase, an enzyme of alkaloid detoxification Journal of Biological Chemistry. 285: 18397-18406. PMID 20378534 DOI: 10.1074/Jbc.M109.088989 |
0.331 |
|
| 2010 |
Huber K, Schemies J, Uciechowska U, Wagner JM, Rumpf T, Lewrick F, Süss R, Sippl W, Jung M, Bracher F. Novel 3-arylideneindolin-2-ones as inhibitors of NAD+-dependent histone deacetylases (sirtuins) Journal of Medicinal Chemistry. 53: 1383-1386. PMID 20030343 DOI: 10.1021/Jm901055U |
0.433 |
|
| 2010 |
Huber K, Schemies J, Uciechowska U, Wagner JM, Rumpf T, Lewrick F, Süss R, Sippl W, Jung M, Bracher F. Novel 3-arylideneindolin-2-ones as inhibitors of NAD+-dependent histone deacetylases (sirtuins) Journal of Medicinal Chemistry. 53: 1383-1386. PMID 20030343 DOI: 10.1021/jm901055u |
0.322 |
|
| 2010 |
Schemies J, Uciechowska U, Sippl W, Jung M. NAD+-dependent histone deacetylases (sirtuins) as novel therapeutic targets Medicinal Research Reviews. 30: 861-889. PMID 19824050 DOI: 10.1002/Med.20178 |
0.406 |
|
| 2010 |
Wichapong K, Pianwanit S, Sippl W, Kokpol S. Homology modeling and molecular dynamics simulations of Dengue virus NS2B/NS3 protease: Insight into molecular interaction Journal of Molecular Recognition. 23: 283-300. PMID 19693793 DOI: 10.1002/Jmr.977 |
0.368 |
|
| 2010 |
Bissinger EM, Heinke R, Sippl W, Jung M. Targeting epigenetic modifiers: Inhibitors of histone methyltransferases Medchemcomm. 1: 114-124. DOI: 10.1039/C0Md00062K |
0.381 |
|
| 2009 |
Dubreuil P, Letard S, Ciufolini M, Gros L, Humbert M, Castéran N, Borge L, Hajem B, Lermet A, Sippl W, Voisset E, Arock M, Auclair C, Leventhal PS, Mansfield CD, et al. Masitinib (AB1010), a potent and selective tyrosine kinase inhibitor targeting KIT Plos One. 4. PMID 19789626 DOI: 10.1371/Journal.Pone.0007258 |
0.396 |
|
| 2009 |
Spannhoff A, Hauser AT, Heinke R, Sippl W, Jung M. The emerging therapeutic potential of histone methyltransferase and demethylase inhibitors Chemmedchem. 4: 1568-1582. PMID 19739196 DOI: 10.1002/Cmdc.200900301 |
0.398 |
|
| 2009 |
Colland F, Formstecher E, Jacq X, Reverdy C, Planquette C, Conrath S, Trouplin V, Bianchi J, Aushev VN, Camonis J, Calabrese A, Borg-Capra C, Sippl W, Collura V, Boissy G, et al. Small-molecule inhibitor of USP7/HAUSP ubiquitin protease stabilizes and activates p53 in cells. Molecular Cancer Therapeutics. 8: 2286-95. PMID 19671755 DOI: 10.1158/1535-7163.Mct-09-0097 |
0.302 |
|
| 2009 |
Colland F, Formstecher E, Jacq X, Reverdy C, Planquette C, Conrath S, Trouplin V, Bianchi J, Aushev VN, Camonis J, Calabrese A, Borg-Capra C, Sippl W, Collura V, Boissy G, et al. Small-molecule inhibitor of USP7/HAUSP ubiquitin protease stabilizes and activates p53 in cells. Molecular Cancer Therapeutics. 8: 2286-95. PMID 19671755 DOI: 10.1158/1535-7163.Mct-09-0097 |
0.302 |
|
| 2009 |
da Cunha EFF, Sippl W, de Castro Ramalho T, Ceva Antunes OA, de Alencastro RB, Albuquerque MG. 3D-QSAR CoMFA/CoMSIA models based on theoretical active conformers of HOE/BAY-793 analogs derived from HIV-1 protease inhibitor complexes European Journal of Medicinal Chemistry. 44: 4344-4352. PMID 19616874 DOI: 10.1016/J.Ejmech.2009.05.016 |
0.35 |
|
| 2009 |
Schemies J, Sippl W, Jung M. Histone deacetylase inhibitors that target tubulin Cancer Letters. 280: 222-232. PMID 19268440 DOI: 10.1016/J.Canlet.2009.01.040 |
0.378 |
|
| 2009 |
Schemies J, Sippl W, Jung M. Histone deacetylase inhibitors that target tubulin Cancer Letters. 280: 222-232. PMID 19268440 DOI: 10.1016/j.canlet.2009.01.040 |
0.302 |
|
| 2009 |
Schäfer S, Saunders L, Schlimme S, Valkov V, Wagner JM, Kratz F, Sippl W, Verdin E, Jung M. Pyridylalanine-containing hydroxamic acids as selective HDAC6 inhibitors Chemmedchem. 4: 283-290. PMID 19090524 DOI: 10.1002/Cmdc.200800196 |
0.487 |
|
| 2009 |
Schäfer S, Saunders L, Schlimme S, Valkov V, Wagner JM, Kratz F, Sippl W, Verdin E, Jung M. Pyridylalanine-containing hydroxamic acids as selective HDAC6 inhibitors Chemmedchem. 4: 283-290. PMID 19090524 DOI: 10.1002/cmdc.200800196 |
0.388 |
|
| 2009 |
Heinke R, Spannhoff A, Meier R, Trojer P, Bauer I, Jung M, Sippl W. Virtual screening and biological characterization of novel histone arginine methyltransferase PRMT1 inhibitors Chemmedchem. 4: 69-77. PMID 19085993 DOI: 10.1002/Cmdc.200800301 |
0.487 |
|
| 2009 |
Heinke R, Spannhoff A, Meier R, Trojer P, Bauer I, Jung M, Sippl W. Virtual screening and biological characterization of novel histone arginine methyltransferase PRMT1 inhibitors Chemmedchem. 4: 69-77. PMID 19085993 DOI: 10.1002/cmdc.200800301 |
0.388 |
|
| 2009 |
Wichapong K, Lindner M, Pianwanit S, Kokpol S, Sippl W. Receptor-based 3D-QSAR studies of checkpoint Wee1 kinase inhibitors European Journal of Medicinal Chemistry. 44: 1383-1395. PMID 18976834 DOI: 10.1016/J.Ejmech.2008.09.027 |
0.448 |
|
| 2009 |
Spannhoff A, Sippl W, Jung M. Cancer treatment of the future: Inhibitors of histone methyltransferases International Journal of Biochemistry and Cell Biology. 41: 4-11. PMID 18773966 DOI: 10.1016/J.Biocel.2008.07.024 |
0.38 |
|
| 2009 |
Wichapong K, Pianwanit S, Kokpol S, Sippl W. Molecular modeling studies on dengue and West Nile Virus NS2B/NS3 protease inhibitor interaction Chemistry Central Journal. 3. DOI: 10.1186/1752-153X-3-S1-P55 |
0.374 |
|
| 2009 |
Garrigue P, Prebet T, Létard S, Hanssens K, Sippl W, Lermet A, Vey N, Borg JP, Dubreuil P. Wide Range Sequencing of FLT3 Reveals a New Activating Mutation Associated with a Decreased Sensitivity to Tyrosine Kinase Inhibitors in Acute Myeloid Leukaemia. Blood. 114: 3982-3982. DOI: 10.1182/Blood.V114.22.3982.3982 |
0.321 |
|
| 2008 |
Uciechowska U, Schemies J, Neugebauer RC, Huda EM, Schmitt ML, Meier R, Verdin E, Jung M, Sippl W. Thiobarbiturates as sirtuin inhibitors: virtual screening, free-energy calculations, and biological testing. Chemmedchem. 3: 1965-76. PMID 18985648 DOI: 10.1002/Cmdc.200800104 |
0.486 |
|
| 2008 |
Jyrkkärinne J, Windshügel B, Rönkkö T, Tervo AJ, Küblbeck J, Lahtela-Kakkonen M, Sippl W, Poso A, Honkakoski P. Insights into ligand-elicited activation of human constitutive androstane receptor based on novel agonists and three-dimensional quantitative structure-activity relationship. Journal of Medicinal Chemistry. 51: 7181-92. PMID 18983136 DOI: 10.1021/Jm800731B |
0.381 |
|
| 2008 |
Küblbeck J, Jyrkkärinne J, Poso A, Turpeinen M, Sippl W, Honkakoski P, Windshügel B. Discovery of substituted sulfonamides and thiazolidin-4-one derivatives as agonists of human constitutive androstane receptor. Biochemical Pharmacology. 76: 1288-97. PMID 18786510 DOI: 10.1016/J.Bcp.2008.08.014 |
0.364 |
|
| 2008 |
Neugebauer RC, Sippl W, Jung M. Inhibitors of NAD+ dependent histone deacetylases (sirtuins). Current Pharmaceutical Design. 14: 562-73. PMID 18336301 DOI: 10.2174/138161208783885380 |
0.448 |
|
| 2008 |
Wollmann J, Baumert C, Erlenkamp G, Sippl W, Hilgeroth A. Novel insight into inhibitor binding of highly symmetric HIV-1 protease. Chembiochem : a European Journal of Chemical Biology. 9: 874-8. PMID 18318035 DOI: 10.1002/Cbic.200700646 |
0.329 |
|
| 2008 |
Neugebauer RC, Uchiechowska U, Meier R, Hruby H, Valkov V, Verdin E, Sippl W, Jung M. Structure-activity studies on splitomicin derivatives as sirtuin inhibitors and computational prediction of binding mode. Journal of Medicinal Chemistry. 51: 1203-13. PMID 18269226 DOI: 10.1021/Jm700972E |
0.51 |
|
| 2008 |
Schäfer S, Saunders L, Eliseeva E, Velena A, Jung M, Schwienhorst A, Strasser A, Dickmanns A, Ficner R, Schlimme S, Sippl W, Verdin E, Jung M. Phenylalanine-containing hydroxamic acids as selective inhibitors of class IIb histone deacetylases (HDACs). Bioorganic & Medicinal Chemistry. 16: 2011-33. PMID 18054239 DOI: 10.1016/J.Bmc.2007.10.092 |
0.447 |
|
| 2008 |
Vanamo J, Windshügel B, Jyrkkärinne J, Poso A, Sippl W, Honkakoski P. Identification of novel CAR agonists for drug development European Journal of Pharmaceutical Sciences. 34. DOI: 10.1016/J.Ejps.2008.02.086 |
0.318 |
|
| 2007 |
Bichlmaier I, Finel M, Sippl W, Yli-Kauhaluoma J. Stereochemical and steric control of the UDP-glucuronosyltransferase-catalyzed conjugation reaction: a rational approach for the design of inhibitors for the human UGT2B7. Chemmedchem. 2: 1730-40. PMID 17943712 DOI: 10.1002/Cmdc.200700122 |
0.428 |
|
| 2007 |
Schlegel B, Laggner C, Meier R, Langer T, Schnell D, Seifert R, Stark H, Höltje HD, Sippl W. Generation of a homology model of the human histamine H3 receptor for ligand docking and pharmacophore-based screening Journal of Computer-Aided Molecular Design. 21: 437-453. PMID 17668276 DOI: 10.1007/S10822-007-9127-X |
0.625 |
|
| 2007 |
Trapp J, Meier R, Hongwiset D, Kassack MU, Sippl W, Jung M. Structure-activity studies on suramin analogues as inhibitors of NAD+-dependent histone deacetylases (sirtuins). Chemmedchem. 2: 1419-31. PMID 17628866 DOI: 10.1002/Cmdc.200700003 |
0.477 |
|
| 2007 |
Spannhoff A, Machmur R, Heinke R, Trojer P, Bauer I, Brosch G, Schüle R, Hanefeld W, Sippl W, Jung M. A novel arginine methyltransferase inhibitor with cellular activity. Bioorganic & Medicinal Chemistry Letters. 17: 4150-3. PMID 17570663 DOI: 10.1016/J.Bmcl.2007.05.088 |
0.501 |
|
| 2007 |
Spannhoff A, Heinke R, Bauer I, Trojer P, Metzger E, Gust R, Schüle R, Brosch G, Sippl W, Jung M. Target-based approach to inhibitors of histone arginine methyltransferases. Journal of Medicinal Chemistry. 50: 2319-25. PMID 17432842 DOI: 10.1021/Jm061250E |
0.412 |
|
| 2006 |
Trapp J, Jochum A, Meier R, Saunders L, Marshall B, Kunick C, Verdin E, Goekjian P, Sippl W, Jung M. Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition. Journal of Medicinal Chemistry. 49: 7307-16. PMID 17149860 DOI: 10.1021/Jm060118B |
0.465 |
|
| 2005 |
Schlegel B, Sippl W, Höltje HD. Molecular dynamics simulations of bovine rhodopsin: Influence of protonation states and different membrane-mimicking environments Journal of Molecular Modeling. 12: 49-64. PMID 16247601 DOI: 10.1007/S00894-005-0004-Z |
0.56 |
|
| 2005 |
Schlegel B, Stark H, Sippl W, Höltje HD. Model of a specific human histamine H3 receptor (hH 3R) binding pocket suitable for virtual drug design Inflammation Research. 54: S50-S51. PMID 15928832 DOI: 10.1007/S00011-004-0423-9 |
0.592 |
|
| 2005 |
Windshügel B, Jyrkkärinne J, Poso A, Honkakoski P, Sippl W. Molecular dynamics simulations of the human CAR ligand-binding domain: deciphering the molecular basis for constitutive activity. Journal of Molecular Modeling. 11: 69-79. PMID 15616833 DOI: 10.1007/S00894-004-0227-4 |
0.337 |
|
| 2005 |
Jyrkkärinne J, Windshügel B, Mäkinen J, Ylisirniö M, Peräkylä M, Poso A, Sippl W, Honkakoski P. Amino acids important for ligand specificity of the human constitutive androstane receptor. The Journal of Biological Chemistry. 280: 5960-71. PMID 15572376 DOI: 10.1074/Jbc.M411241200 |
0.345 |
|
| 2004 |
Stark H, Kathmann M, Schlicker E, Schunack W, Schlegel B, Sippl W. Medicinal chemical and pharmacological aspects of imidazole-containing histamine H3 receptor antagonists. Mini Reviews in Medicinal Chemistry. 4: 965-77. PMID 15544557 DOI: 10.2174/1389557043403107 |
0.39 |
|
| 2003 |
Hackling A, Ghosh R, Perachon S, Mann A, Höltje HD, Wermuth CG, Schwartz JC, Sippl W, Sokoloff P, Stark H. N-(omega-(4-(2-methoxyphenyl)piperazin-1-yl)alkyl)carboxamides as dopamine D2 and D3 receptor ligands. Journal of Medicinal Chemistry. 46: 3883-99. PMID 12930150 DOI: 10.1021/Jm030836N |
0.331 |
|
| 2003 |
Hammer S, Spika I, Sippl W, Jessen G, Kleuser B, Höltje HD, Schäfer-Korting M. Glucocorticoid receptor interactions with glucocorticoids: Evaluation by molecular modeling and functional analysis of glucocorticoid receptor mutants Steroids. 68: 329-339. PMID 12787894 DOI: 10.1016/S0039-128X(03)00030-8 |
0.605 |
|
| 2003 |
Grassmann S, Apelt J, Sippl W, Ligneau X, Pertz HH, Zhao YH, Arrang JM, Ganellin CR, Schwartz JC, Schunack W, Stark H. Imidazole derivatives as a novel class of hybrid compounds with inhibitory histamine N-methyltransferase potencies and histamine hH3 receptor affinities. Bioorganic & Medicinal Chemistry. 11: 2163-74. PMID 12713826 DOI: 10.1016/S0968-0896(03)00120-2 |
0.43 |
|
| 2002 |
Sippl W. Development of biologically active compounds by combining 3D QSAR and structure-based design methods Journal of Computer-Aided Molecular Design. 16: 825-830. PMID 12825795 DOI: 10.1023/A:1023888813526 |
0.4 |
|
| 2002 |
Sippl W. Binding affinity prediction of novel estrogen receptor ligands using receptor-based 3-D QSAR methods Bioorganic and Medicinal Chemistry. 10: 3741-3755. PMID 12413831 DOI: 10.1016/S0968-0896(02)00375-9 |
0.323 |
|
| 2001 |
Contreras JM, Parrot I, Sippl W, Rival YM, Wermuth CG. Design, synthesis, and structure-activity relationships of a series of 3-[2-(1-benzylpiperidin-4-yl)ethylamino]pyridazine derivatives as acetylcholinesterase inhibitors. Journal of Medicinal Chemistry. 44: 2707-18. PMID 11495583 DOI: 10.1021/Jm001088U |
0.411 |
|
| 2001 |
Sippl W, Contreras JM, Parrot I, Rival YM, Wermuth CG. Structure-based 3D QSAR and design of novel acetylcholinesterase inhibitors. Journal of Computer-Aided Molecular Design. 15: 395-410. PMID 11394735 DOI: 10.1023/A:1011150215288 |
0.434 |
|
| 2001 |
Stark H, Sippl W, Ligneau X, Arrang JM, Ganellin CR, Schwartz JC, Schunack W. Different antagonist binding properties of human and rat histamine H3 receptors. Bioorganic & Medicinal Chemistry Letters. 11: 951-4. PMID 11294398 DOI: 10.1016/S0960-894X(01)00090-7 |
0.325 |
|
| 2000 |
Sippl W. Receptor-based 3D QSAR analysis of estrogen receptor ligands - Merging the accuracy of receptor-based alignments with the computational efficiency of ligand-based methods Journal of Computer-Aided Molecular Design. 14: 559-572. PMID 10921772 DOI: 10.1023/A:1008115913787 |
0.341 |
|
| 2000 |
Sippl W, Höltje HD. Structure-based 3D-QSAR - Merging the accuracy of structure-based alignments with the computational efficiency of ligand-based methods Journal of Molecular Structure: Theochem. 503: 31-50. DOI: 10.1016/S0166-1280(99)00361-9 |
0.612 |
|
| 1999 |
Gysler A, Kleuser B, Sippl W, Lange K, Korting HC, Höltje HD, Schäfer-Korting M. Skin penetration and metabolism of topical glucocorticoids in reconstructed epidermis and in excised human skin Pharmaceutical Research. 16: 1386-1391. PMID 10496654 DOI: 10.1023/A:1018946924585 |
0.549 |
|
| 1998 |
Sippl W, Stark H, Höltje HD. Development of a binding site model for histamine H3-receptor agonists Pharmazie. 53: 433-437. PMID 9699219 |
0.545 |
|
| 1997 |
Höltje HD, Sippl W. Molecular modelling studies on histamine H2- and H3-receptor agonists Pharmacochemistry Library. 28: 137-148. DOI: 10.1016/S0165-7208(97)80060-8 |
0.584 |
|
| 1995 |
Sippl W, Stark H, Holtje HD. Computer-assisted analysis of histamine H2- and H3-receptor agonists Quantitative Structure-Activity Relationships. 14: 121-125. DOI: 10.1002/Qsar.19950140203 |
0.578 |
|
| 1994 |
Sippl W, Höltje HD. P81 sterical and electronical properties of histamine H2-agonists European Journal of Pharmaceutical Sciences. 2: 139. DOI: 10.1016/0928-0987(94)90254-2 |
0.532 |
|
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