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Tanja Schirmeister, Ph.D. - Publications

Affiliations: 
1999-2002 Institute of Pharmacy Heidelberg University, Tiffin, OH, United States 
 1999-2002 Institute of Pharmacy Albert-Ludwigs-University Freiburg, Freiburg im Breisgau, Baden-Württemberg, Germany 
 2000-2011 Institut für Pharmazie und Lebensmittelchemie Julius-Maximilans-Universität Würzburg, Würzburg, Bayern, Germany 
 2010- Institut für Pharmazie und Biochemie Johannes Gutenberg-Universität Mainz, Mainz, Rheinland-Pfalz, Germany 
Area:
Medicinal Chemistry, Antiviral Drugs, Antiparasitic Drugs, Protease Inhibitors, Glycosidase Inhibitors, Covalent Enzyme Inhibitors, Peptide Chemistry, Chemistry of Three-membered Heterocycles, Vinyl sulfone Chemistry, Peptidomimetics, Enzyme Kinetics, Enz
Website:
http://www.pharmazie.uni-mainz.de/AK-Schirmeister/67.php
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185 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2024 Medrano FJ, de la Hoz-Rodríguez S, Martí S, Arafet K, Schirmeister T, Hammerschmidt SJ, Müller C, González-Martínez Á, Santillana E, Ziebuhr J, Romero A, Zimmer C, Weldert A, Zimmermann R, Lodola A, et al. Peptidyl nitroalkene inhibitors of main protease rationalized by computational and crystallographic investigations as antivirals against SARS-CoV-2. Communications Chemistry. 7: 15. PMID 38238420 DOI: 10.1038/s42004-024-01104-7  0.361
2023 Maus H, Gellert A, Englert OR, Chen JX, Schirmeister T, Barthels F. Designing photoaffinity tool compounds for the investigation of the DENV NS2B-NS3 protease allosteric binding pocket. Rsc Medicinal Chemistry. 14: 2365-2379. PMID 37974966 DOI: 10.1039/d3md00331k  0.332
2023 Fernández-de-la-Pradilla A, Royo S, Schirmeister T, Barthels F, Świderek K, González FV, Moliner V. Impact of the Warhead of Dipeptidyl Keto Michael Acceptors on the Inhibition Mechanism of Cysteine Protease Cathepsin L. Acs Catalysis. 13: 13354-13368. PMID 37881790 DOI: 10.1021/acscatal.3c02748  0.439
2023 Schwickert M, Zimmermann RA, Habeck T, Hoba SN, Nidoieva Z, Fischer TR, Stark MM, Kersten C, Lermyte F, Helm M, Schirmeister T. Covalent -Adenosylhomocysteine-Based DNA Methyltransferase 2 Inhibitors with a New Type of Aryl Warhead. Acs Medicinal Chemistry Letters. 14: 777-787. PMID 37312859 DOI: 10.1021/acsmedchemlett.3c00062  0.348
2023 Di Chio C, Previti S, Totaro N, De Luca F, Allegra A, Schirmeister T, Zappalà M, Ettari R. Dipeptide Nitrile CD34 with Curcumin: A New Improved Combination Strategy to Synergistically Inhibit Rhodesain of . International Journal of Molecular Sciences. 24. PMID 37239824 DOI: 10.3390/ijms24108477  0.337
2023 Arafet K, Royo S, Schirmeister T, Barthels F, González FV, Moliner V. Impact of the Recognition Part of Dipeptidyl Nitroalkene Compounds on the Inhibition Mechanism of Cysteine Proteases Cruzain and Cathepsin L. Acs Catalysis. 13: 6289-6300. PMID 37180968 DOI: 10.1021/acscatal.3c01035  0.349
2023 Müller P, Meta M, Meidner JL, Schwickert M, Meyr J, Schwickert K, Kersten C, Zimmer C, Hammerschmidt SJ, Frey A, Lahu A, de la Hoz-Rodríguez S, Agost-Beltrán L, Rodríguez S, Diemer K, ... ... Schirmeister T, et al. Investigation of the Compatibility between Warheads and Peptidomimetic Sequences of Protease Inhibitors-A Comprehensive Reactivity and Selectivity Study. International Journal of Molecular Sciences. 24. PMID 37108388 DOI: 10.3390/ijms24087226  0.552
2023 Citarella A, Moi D, Pedrini M, Pérez-Peña H, Pieraccini S, Stagno C, Micale N, Schirmeister T, Sibille G, Gribaudo G, Silvani A, Passarella D, Giannini C. Discovery of a Novel Trifluoromethyl Diazirine Inhibitor of SARS-CoV-2 M. Molecules (Basel, Switzerland). 28. PMID 36677572 DOI: 10.3390/molecules28020514  0.302
2023 Eurtivong C, Zimmer C, Schirmeister T, Butkinaree C, Saruengkhanphasit R, Niwetmarin W, Ruchirawat S, Bhambra AS. A structure-based virtual high-throughput screening, molecular docking, molecular dynamics and MM/PBSA study identified novel putative drug-like dual inhibitors of trypanosomal cruzain and rhodesain cysteine proteases. Molecular Diversity. PMID 36617352 DOI: 10.1007/s11030-023-10600-2  0.305
2022 Previti S, Ettari R, Calcaterra E, Di Maro S, Hammerschmidt SJ, Müller C, Ziebuhr J, Schirmeister T, Cosconati S, Zappalà M. Structure-based lead optimization of peptide-based vinyl methyl ketones as SARS-CoV-2 main protease inhibitors. European Journal of Medicinal Chemistry. 247: 115021. PMID 36549112 DOI: 10.1016/j.ejmech.2022.115021  0.318
2022 Di Chio C, Previti S, De Luca F, Bogacz M, Zimmer C, Wagner A, Schirmeister T, Zappalà M, Ettari R. Drug Combination Studies of the Dipeptide Nitrile CD24 with Curcumin: A New Strategy to Synergistically Inhibit Rhodesain of . International Journal of Molecular Sciences. 23. PMID 36430948 DOI: 10.3390/ijms232214470  0.354
2022 Ielo L, Patamia V, Citarella A, Efferth T, Shahhamzehei N, Schirmeister T, Stagno C, Langer T, Rescifina A, Micale N, Pace V. Novel Class of Proteasome Inhibitors: In Silico and In Vitro Evaluation of Diverse Chloro(trifluoromethyl)aziridines. International Journal of Molecular Sciences. 23. PMID 36293216 DOI: 10.3390/ijms232012363  0.309
2022 Previti S, Ettari R, Calcaterra E, Di Chio C, Ravichandran R, Zimmer C, Hammerschmidt S, Wagner A, Bogacz M, Cosconati S, Schirmeister T, Zappalà M. Development of Urea-Bond-Containing Michael Acceptors as Antitrypanosomal Agents Targeting Rhodesain. Acs Medicinal Chemistry Letters. 13: 1083-1090. PMID 35859868 DOI: 10.1021/acsmedchemlett.2c00084  0.341
2022 Schwickert M, Fischer TR, Zimmermann RA, Hoba SN, Meidner JL, Weber M, Weber M, Stark MM, Koch J, Jung N, Kersten C, Windbergs M, Lyko F, Helm M, Schirmeister T. Discovery of Inhibitors of DNA Methyltransferase 2, an Epitranscriptomic Modulator and Potential Target for Cancer Treatment. Journal of Medicinal Chemistry. 65: 9750-9788. PMID 35849534 DOI: 10.1021/acs.jmedchem.2c00388  0.395
2022 Wettstein L, Knaff PM, Kersten C, Müller P, Weil T, Conzelmann C, Müller JA, Brückner M, Hoffmann M, Pöhlmann S, Schirmeister T, Landfester K, Münch J, Mailänder V. Peptidomimetic inhibitors of TMPRSS2 block SARS-CoV-2 infection in cell culture. Communications Biology. 5: 681. PMID 35804152 DOI: 10.1038/s42003-022-03613-4  0.362
2022 Previti S, Ettari R, Di Chio C, Ravichandran R, Bogacz M, Hellmich UA, Schirmeister T, Cosconati S, Zappalà M. Development of Reduced Peptide Bond Pseudopeptide Michael Acceptors for the Treatment of Human African Trypanosomiasis. Molecules (Basel, Switzerland). 27. PMID 35744891 DOI: 10.3390/molecules27123765  0.309
2022 Jung S, Fuchs N, Grathwol C, Hellmich UA, Wagner A, Diehl E, Willmes T, Sotriffer C, Schirmeister T. New peptidomimetic rhodesain inhibitors with improved selectivity towards human cathepsins. European Journal of Medicinal Chemistry. 238: 114460. PMID 35597010 DOI: 10.1016/j.ejmech.2022.114460  0.335
2022 Di Chio C, Previti S, Amendola G, Ravichandran R, Wagner A, Cosconati S, Hellmich UA, Schirmeister T, Zappalà M, Ettari R. Development of novel dipeptide nitriles as inhibitors of rhodesain of Trypanosoma brucei rhodesiense. European Journal of Medicinal Chemistry. 236: 114328. PMID 35385806 DOI: 10.1016/j.ejmech.2022.114328  0.344
2022 Barthels F, Meyr J, Hammerschmidt SJ, Marciniak T, Räder HJ, Ziebuhr W, Engels B, Schirmeister T. 2-Sulfonylpyrimidines as Privileged Warheads for the Development of Sortase A Inhibitors. Frontiers in Molecular Biosciences. 8: 804970. PMID 35047562 DOI: 10.3389/fmolb.2021.804970  0.598
2021 Maus H, Barthels F, Hammerschmidt SJ, Kopp K, Millies B, Gellert A, Ruggieri A, Schirmeister T. SAR of novel benzothiazoles targeting an allosteric pocket of DENV and ZIKV NS2B/NS3 proteases. Bioorganic & Medicinal Chemistry. 47: 116392. PMID 34509861 DOI: 10.1016/j.bmc.2021.116392  0.326
2021 Jung S, Fuchs N, Johe P, Wagner A, Diehl E, Yuliani T, Zimmer C, Barthels F, Zimmermann RA, Klein P, Waigel W, Meyr J, Opatz T, Tenzer S, Distler U, ... ... Schirmeister T, et al. Fluorovinylsulfones and -Sulfonates as Potent Covalent Reversible Inhibitors of the Trypanosomal Cysteine Protease Rhodesain: Structure-Activity Relationship, Inhibition Mechanism, Metabolism, and In Vivo Studies. Journal of Medicinal Chemistry. PMID 34378914 DOI: 10.1021/acs.jmedchem.1c01002  0.687
2021 Johe P, Jung S, Endres E, Kersten C, Zimmer C, Ye W, Sönnichsen C, Hellmich UA, Sotriffer C, Schirmeister T, Neuweiler H. Warhead Reactivity Limits the Speed of Inhibition of the Cysteine Protease Rhodesain. Acs Chemical Biology. PMID 33719398 DOI: 10.1021/acschembio.0c00911  0.34
2020 Kleemiss F, Wieduwilt EK, Hupf E, Shi MW, Stewart SG, Jayatilaka D, Turner MJ, Sugimoto K, Nishibori E, Schirmeister T, Schmidt TC, Engels B, Grabowsky S. Similarities and differences between crystal and enzyme environmental effects on the electron density of drug molecules. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 33090581 DOI: 10.1002/chem.202003978  0.468
2020 Cirri D, Schirmeister T, Seo EJ, Efferth T, Massai L, Messori L, Micale N. Antiproliferative Properties of a Few Auranofin-Related Gold(I) and Silver(I) Complexes in Leukemia Cells and their Interferences with the Ubiquitin Proteasome System. Molecules (Basel, Switzerland). 25. PMID 32998355 DOI: 10.3390/molecules25194454  0.311
2020 Welker A, Kersten C, Müller C, Madhugiri R, Zimmer C, Müller P, Zimmermann RA, Hammerschmidt S, Maus H, Ziebuhr J, Sotriffer C, Schirmeister T. SAR of novel benzamides and isoindolines, designed as SARS-CoV protease inhibitors - effective against SARS-CoV-2. Chemmedchem. PMID 32930481 DOI: 10.1002/Cmdc.202000548  0.504
2020 Fuchs N, Meta M, Schuppan D, Nuhn L, Schirmeister T. Novel Opportunities for Cathepsin S Inhibitors in Cancer Immunotherapy by Nanocarrier-Mediated Delivery. Cells. 9. PMID 32887380 DOI: 10.3390/Cells9092021  0.363
2020 Maiorana S, Ettari R, Previti S, Amendola G, Wagner A, Cosconati S, Hellmich UA, Schirmeister T, Zappalà M. Peptidyl Vinyl Ketones Irreversible Inhibitors of Rhodesain: Modifications of the P2 Fragment. Chemmedchem. PMID 32567172 DOI: 10.1002/Cmdc.202000360  0.464
2020 Ettari R, Previti S, Di Chio C, Maiorana S, Allegra A, Schirmeister T, Zappalà M. Drug Synergism: Studies of Combination of RK-52 and Curcumin against Rhodesain of . Acs Medicinal Chemistry Letters. 11: 806-810. PMID 32435388 DOI: 10.1021/Acsmedchemlett.9B00635  0.413
2020 Klein P, Barthels F, Johe P, Wagner A, Tenzer S, Distler U, Le TA, Schmid P, Engel V, Engels B, Hellmich UA, Opatz T, Schirmeister T. Naphthoquinones as Covalent Reversible Inhibitors of Cysteine Proteases-Studies on Inhibition Mechanism and Kinetics. Molecules (Basel, Switzerland). 25. PMID 32354191 DOI: 10.3390/Molecules25092064  0.706
2020 Di Chio C, Previti S, Amendola G, Cosconati S, Schirmeister T, Zappalà M, Ettari R. Development of Novel Benzodiazepine-Based Peptidomimetics as Inhibitors of Rhodesain from Trypanosoma brucei rhodesiense. Chemmedchem. PMID 32329206 DOI: 10.1002/Cmdc.202000158  0.468
2020 Roman D, Raguž L, Keiff F, Meyer F, Barthels F, Schirmeister T, Kloss F, Beemelmanns C. Modular Solid-Phase Synthesis of Antiprotozoal Barnesin Derivatives. Organic Letters. PMID 32212714 DOI: 10.1021/Acs.Orglett.0C00723  0.343
2020 Klein P, Johe P, Wagner A, Jung S, Kühlborn J, Barthels F, Tenzer S, Distler U, Waigel W, Engels B, Hellmich UA, Opatz T, Schirmeister T. New Cysteine Protease Inhibitors: Electrophilic (Het)arenes and Unexpected Prodrug Identification for the Protease Rhodesain. Molecules (Basel, Switzerland). 25. PMID 32210166 DOI: 10.3390/Molecules25061451  0.713
2020 Barthels F, Marincola G, Marciniak T, Konhäuser M, Hammerschmidt S, Bierlmeier J, Distler U, Wich PR, Tenzer S, Schwarzer D, Ziebuhr W, Schirmeister T. Asymmetric Disulfanylbenzamides as Irreversible and Selective Inhibitors of Staphylococcus aureus Sortase A. Chemmedchem. PMID 32118357 DOI: 10.1002/Cmdc.201900687  0.45
2020 Kossack R, Breinlinger S, Nguyen T, Moschny J, Straetener J, Berscheid A, Brötz-Oesterhelt H, Enke H, Schirmeister T, Niedermeyer THJ. Nostotrebin 6 Related Cyclopentenediones and δ-Lactones with Broad Activity Spectrum Isolated from the Cultivation Medium of the Cyanobacterium sp. CBT1153. Journal of Natural Products. PMID 31977209 DOI: 10.1021/Acs.Jnatprod.9B00885  0.422
2019 Millies B, von Hammerstein F, Gellert A, Hammerschmidt S, Barthels F, Göppel U, Immerheiser M, Elgner F, Jung N, Basic M, Kersten C, Kiefer W, Bodem J, Hildt E, Windbergs M, ... ... Schirmeister T, et al. Proline-based allosteric inhibitors of Zika and Dengue virus NS2B/NS3 proteases. Journal of Medicinal Chemistry. PMID 31769670 DOI: 10.1021/Acs.Jmedchem.9B01697  0.494
2019 Ettari R, Previti S, Maiorana S, Amendola G, Wagner A, Cosconati S, Schirmeister T, Hellmich UA, Zappalà M. Optimization strategy of novel peptide-based Michael acceptors for the treatment of Human African Trypanosomiasis. Journal of Medicinal Chemistry. PMID 31714776 DOI: 10.1021/Acs.Jmedchem.9B00908  0.402
2019 von Hammerstein F, Lauth LM, Hammerschmidt S, Wagner A, Schirmeister T, Hellmich UA. Cis autocatalytic cleavage of glycine-linked Zika virus NS2B-NS3 protease constructs. Febs Letters. PMID 31240714 DOI: 10.1002/1873-3468.13507  0.344
2019 Irsheid L, Wehler T, Borek C, Kiefer W, Brenk R, Ortiz-Soto ME, Seibel J, Schirmeister T. Identification of a potential allosteric site of Golgi α-mannosidase II using computer-aided drug design. Plos One. 14: e0216132. PMID 31067280 DOI: 10.1371/Journal.Pone.0216132  0.323
2018 Royo S, Schirmeister T, Kaiser M, Jung S, Rodríguez S, Bautista JM, González FV. Antiprotozoal and cysteine proteases inhibitory activity of dipeptidyl enoates. Bioorganic & Medicinal Chemistry. PMID 30037754 DOI: 10.1016/J.Bmc.2018.07.015  0.406
2018 Fey P, Chartomatsidou R, Kiefer W, Mottram JC, Kersten C, Schirmeister T. New aziridine-based inhibitors of cathepsin L-like cysteine proteases with selectivity for the Leishmania cysteine protease LmCPB2.8. European Journal of Medicinal Chemistry. 156: 587-597. PMID 30029081 DOI: 10.1016/J.Ejmech.2018.07.012  0.495
2018 Ettari R, Previti S, Maiorana S, Allegra A, Schirmeister T, Grasso S, Zappalà M. Drug combination studies of curcumin and genistein against rhodesain of Trypanosoma brucei rhodesiense. Natural Product Research. 1-5. PMID 29897253 DOI: 10.1080/14786419.2018.1483927  0.35
2018 De Luca L, Ferro S, Buemi MR, Monforte AM, Gitto R, Schirmeister T, Maes L, Rescifina A, Micale N. Discovery of benzimidazole-based L. mexicana cysteine protease CPB2.8ΔCTE inhibitors as potential therapeutics for leishmaniasis. Chemical Biology & Drug Design. PMID 29729080 DOI: 10.1111/Cbdd.13326  0.385
2018 Giroud M, Kuhn B, Saint-Auret S, Kuratli C, Martin RE, Schuler F, Diederich F, Kaiser M, Brun R, Schirmeister T, Haap W. 2H-1,2,3-Triazole-Based Dipeptidyl Nitriles: Potent, Selective, and Trypanocidal Rhodesain Inhibitors by Structure-Based Design. Journal of Medicinal Chemistry. PMID 29590751 DOI: 10.1021/Acs.Jmedchem.7B01870  0.41
2018 Giroud M, Dietzel U, Anselm L, Banner D, Kuglstatter A, Benz J, Blanc JB, Gaufreteau D, Liu H, Lin X, Stich A, Kuhn B, Schuler F, Kaiser M, Brun R, ... Schirmeister T, et al. Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. Journal of Medicinal Chemistry. PMID 29590750 DOI: 10.1021/Acs.Jmedchem.7B01869  0.423
2018 Yakoub K, Jung S, Sattler C, Damerow H, Weber J, Kretzschmann A, Cankaya AS, Piel M, Rösch F, Haugaard AS, Frølund B, Schirmeister T, Lüddens H. Structure-function evaluation of imidazopyridine derivatives selective for δ subunit containing γ-aminobutyric acid type A (GABA) receptors. Journal of Medicinal Chemistry. PMID 29451785 DOI: 10.1021/Acs.Jmedchem.7B01484  0.342
2017 Scala A, Rescifina A, Micale N, Piperno A, Schirmeister T, Maes L, Grassi G. Ensamble-based ADME-Tox profiling and virtual screening for the discovery of new inhibitors of the Leishmania mexicana cysteine protease CPB2.8ΔCTE. Chemical Biology & Drug Design. PMID 29045053 DOI: 10.1111/Cbdd.13124  0.486
2017 Preveti S, Ettari R, Cosconati S, Amendola G, Chouchene K, Wagner A, Hellmich UA, Ulrich K, Krauth-Siegel RL, Wich PR, Schmid I, Schirmeister T, Gut J, Rosenthal PJ, Grasso S, et al. Development of Novel Peptide-based Michael Acceptors Targeting Rhodesain and Falcipain-2 for the Treatment of Neglected Tropical Diseases (NTDs). Journal of Medicinal Chemistry. PMID 28763614 DOI: 10.1021/Acs.Jmedchem.7B00405  0.434
2017 Schmidt I, Göllner S, Fuß A, Stich A, Kucharski A, Schirmeister T, Katzowitsch E, Bruhn H, Miliu A, Krauth-Siegel RL, Holzgrabe U. Bistacrines as potential antitrypanosomal agents. Bioorganic & Medicinal Chemistry. 25: 4526-4531. PMID 28698054 DOI: 10.1016/J.Bmc.2017.06.051  0.404
2017 Kuhn B, Tichý M, Wang L, Robinson S, Martin RE, Kuglstatter A, Benz J, Giroud M, Schirmeister T, Abel R, Diederich F, Hert J. Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors. Journal of Medicinal Chemistry. PMID 28287264 DOI: 10.1021/Acs.Jmedchem.6B01881  0.41
2017 Massai L, Messori L, Micale N, Schirmeister T, Maes L, Fregona D, Cinellu MA, Gabbiani C. Gold compounds as cysteine protease inhibitors: perspectives for pharmaceutical application as antiparasitic agents. Biometals : An International Journal On the Role of Metal Ions in Biology, Biochemistry, and Medicine. PMID 28283781 DOI: 10.1007/S10534-017-0007-0  0.46
2017 Schirmeister T, Oli S, Wu H, Della Sala G, Costantino V, Seo EJ, Efferth T. Cytotoxicity of Endoperoxides from the Caribbean Sponge Plakortis halichondrioides towards Sensitive and Multidrug-Resistant Leukemia Cells: Acids vs. Esters Activity Evaluation. Marine Drugs. 15. PMID 28273803 DOI: 10.3390/Md15030063  0.309
2017 Shi MW, Stewart SG, Sobolev AN, Dittrich B, Schirmeister T, Luger P, Hesse M, Chen Y, Spackman PR, Spackman MA, Grabowsky S. Approaching an experimental electron density model of the biologically active trans -epoxysuccinyl amide group-Substituent effects vs. crystal packing Journal of Physical Organic Chemistry. 30: e3683. DOI: 10.1002/Poc.3683  0.363
2016 Latorre A, Schirmeister T, Kesselring J, Jung S, Johé P, Hellmich UA, Heilos A, Engels B, Krauth-Siegel RL, Dirdjaja N, Bou-Iserte L, Rodríguez S, González FV. Dipeptidyl Nitroalkenes as Potent Reversible Inhibitors of Cysteine Proteases Rhodesain and Cruzain. Acs Medicinal Chemistry Letters. 7: 1073-1076. PMID 27994740 DOI: 10.1021/Acsmedchemlett.6B00276  0.633
2016 Giroud M, Ivkovic J, Martignoni M, Fleuti M, Trapp N, Haap W, Kuglstatter A, Benz J, Kuhn B, Schirmeister T, Diederich F. Inhibition of the Cysteine Protease Human Cathepsin L by Triazine Nitriles: Amide···Heteroarene π-Stacking Interactions and Chalcogen Bonding in the S3 Pocket. Chemmedchem. PMID 27992115 DOI: 10.1002/Cmdc.201600563  0.347
2016 Schirmeister T, Schmitz J, Jung S, Schmenger T, Krauth-Siegel RL, Gütschow M. Evaluation of dipeptide nitriles as inhibitors of rhodesain, a major cysteine protease of Trypanosoma brucei. Bioorganic & Medicinal Chemistry Letters. PMID 27890381 DOI: 10.1016/J.Bmcl.2016.11.036  0.496
2016 Ettari R, Previti S, Cosconati S, Maiorana S, Schirmeister T, Grasso S, Zappalà M. Development of novel 1,4-benzodiazepine-based Michael acceptors as antitrypanosomal agents. Bioorganic & Medicinal Chemistry Letters. 26: 3453-6. PMID 27372809 DOI: 10.1016/J.Bmcl.2016.06.047  0.38
2016 Schirmeister T, Kesselring J, Jung S, Schneider T, Weickert A, Becker J, Lee W, Bamberger D, Wich PR, Distler U, Tenzer S, Johe P, Hellmich UA, Engels B. Quantum chemical-based Protocol for the rational Design of covalent Inhibitors. Journal of the American Chemical Society. PMID 27347738 DOI: 10.1021/Jacs.6B03052  0.589
2016 Di Giovanni C, Ettari R, Sarno S, Rotondo A, Bitto A, Squadrito F, Altavilla D, Schirmeister T, Novellino E, Grasso S, Zappalà M, Lavecchia A. Identification of noncovalent proteasome inhibitors with high selectivity for chymotrypsin-like activity by a multistep structure-based virtual screening. European Journal of Medicinal Chemistry. 121: 578-591. PMID 27318981 DOI: 10.1016/J.Ejmech.2016.05.049  0.495
2016 Schmidt I, Pradel G, Sologub L, Golzmann A, Ngwa CJ, Kucharski A, Schirmeister T, Holzgrabe U. Bistacrine derivatives as new potent antimalarials. Bioorganic & Medicinal Chemistry. 24: 3636-42. PMID 27316542 DOI: 10.1016/J.Bmc.2016.06.003  0.379
2016 Giroud M, Harder M, Kuhn B, Haap W, Trapp N, Schweizer WB, Schirmeister T, Diederich F. Fluorine Scan of Inhibitors of the Cysteine Protease Human Cathepsin L: Dipolar and Quadrupolar Effects in the π-Stacking of Fluorinated Phenyl Rings on Peptide Amide Bonds. Chemmedchem. PMID 27095165 DOI: 10.1002/Cmdc.201600132  0.394
2016 Schad C, Baum U, Frank B, Dietzel U, Mattern F, Gomes C, Ponte-Sucre A, Moll H, Schurigt U, Schirmeister T. Development of a New Antileishmanial Aziridine-2,3-Dicarboxylate-Based Inhibitor with High Selectivity for Parasite Cysteine Proteases. Antimicrobial Agents and Chemotherapy. 60: 797-805. PMID 26596939 DOI: 10.1128/Aac.00426-15  0.457
2016 Ettari R, Previti S, Cosconati S, Kesselring J, Schirmeister T, Grasso S, Zappalà M. Synthesis and biological evaluation of novel peptidomimetics as rhodesain inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry. 31: 1184-91. PMID 26572904 DOI: 10.3109/14756366.2015.1108972  0.498
2016 Scala A, Micale N, Piperno A, Rescifina A, Schirmeister T, Kesselring J, Grassi G. Targeting of the Leishmania mexicana cysteine protease CPB2.8ΔCTE by decorated fused benzo[b]thiophene scaffold Rsc Advances. 6: 30628-30635. DOI: 10.1039/C6Ra05557E  0.44
2016 Di Giovanni C, Ettari R, Sarno S, Rotondo A, Bitto A, Squadrito F, Altavilla D, Schirmeister T, Novellino E, Grasso S, Zappalà M, Lavecchia A. Identification of noncovalent proteasome inhibitors with high selectivity for chymotrypsin-like activity by a multistep structure-based virtual screening European Journal of Medicinal Chemistry. 121: 578-591. DOI: 10.1016/j.ejmech.2016.05.049  0.38
2015 Ettari R, Pinto A, Previti S, Tamborini L, Angelo IC, La Pietra V, Marinelli L, Novellino E, Schirmeister T, Zappalà M, Grasso S, De Micheli C, Conti P. Development of novel dipeptide-like rhodesain inhibitors containing the 3-bromoisoxazoline warhead in a constrained conformation. Bioorganic & Medicinal Chemistry. PMID 26432608 DOI: 10.1016/J.Bmc.2015.09.029  0.466
2015 Mihoubi M, Micale N, Scala A, Jarraya RM, Bouaziz A, Schirmeister T, Risitano F, Piperno A, Grassi G. Synthesis of C3/C1-Substituted Tetrahydroisoquinolines. Molecules (Basel, Switzerland). 20: 14902-14. PMID 26287146 DOI: 10.3390/Molecules200814902  0.376
2015 Royo S, Rodríguez S, Schirmeister T, Kesselring J, Kaiser M, González FV. Dipeptidyl Enoates As Potent Rhodesain Inhibitors That Display a Dual Mode of Action. Chemmedchem. 10: 1484-7. PMID 26179752 DOI: 10.1002/Cmdc.201500204  0.416
2015 de Sousa LR, Wu H, Nebo L, Fernandes JB, da Silva MF, Kiefer W, Schirmeister T, Vieira PC. Natural products as inhibitors of recombinant cathepsin L of Leishmania mexicana. Experimental Parasitology. 156: 42-8. PMID 26044356 DOI: 10.1016/J.Exppara.2015.05.016  0.442
2015 de Sousa LR, Wu H, Nebo L, Fernandes JB, da Silva MF, Kiefer W, Kanitz M, Bodem J, Diederich WE, Schirmeister T, Vieira PC. Flavonoids as noncompetitive inhibitors of Dengue virus NS2B-NS3 protease: inhibition kinetics and docking studies. Bioorganic & Medicinal Chemistry. 23: 466-70. PMID 25564380 DOI: 10.1016/J.Bmc.2014.12.015  0.41
2015 Wu H, Bock S, Snitko M, Berger T, Weidner T, Holloway S, Kanitz M, Diederich WE, Steuber H, Walter C, Hofmann D, Weißbrich B, Spannaus R, Acosta EG, Bartenschlager R, ... ... Schirmeister T, et al. Novel dengue virus NS2B/NS3 protease inhibitors. Antimicrobial Agents and Chemotherapy. 59: 1100-9. PMID 25487800 DOI: 10.1128/Aac.03543-14  0.574
2015 Ponte-Sucre A, Bruhn H, Schirmeister T, Cecil A, Albert CR, Buechold C, Tischer M, Schlesinger S, Goebel T, Fuß A, Mathein D, Merget B, Sotriffer CA, Stich A, Krohne G, et al. Anti-trypanosomal activities and structural chemical properties of selected compound classes. Parasitology Research. 114: 501-12. PMID 25416330 DOI: 10.1007/S00436-014-4210-4  0.412
2015 Schneider TH, Rieger M, Ansorg K, Sobolev AN, Schirmeister T, Engels B, Grabowsky S. Vinyl sulfone building blocks in covalently reversible reactions with thiols New Journal of Chemistry. 39: 5841-5853. DOI: 10.1039/C5Nj00368G  0.539
2015 Shi MW, Sobolev AN, Schirmeister T, Engels B, Schmidt TC, Luger P, Mebs S, Dittrich B, Chen YS, B?k JM, Jayatilaka D, Bond CS, Turner MJ, Stewart SG, Spackman MA, et al. Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: The case of loxistatin acid (E64c) New Journal of Chemistry. 39: 1628-1633. DOI: 10.1039/C4Nj01503G  0.577
2014 Schmidt TC, Welker A, Rieger M, Sahu PK, Sotriffer CA, Schirmeister T, Engels B. Protocol for rational design of covalently interacting inhibitors. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 3226-35. PMID 25251382 DOI: 10.1002/Cphc.201402542  0.645
2014 Micale N, Schirmeister T, Ettari R, Cinellu MA, Maiore L, Serratrice M, Gabbiani C, Massai L, Messori L. Selected cytotoxic gold compounds cause significant inhibition of 20S proteasome catalytic activities. Journal of Inorganic Biochemistry. 141: 79-82. PMID 25217719 DOI: 10.1016/J.Jinorgbio.2014.08.001  0.452
2014 Paasche A, Zipper A, Schäfer S, Ziebuhr J, Schirmeister T, Engels B. Evidence for substrate binding-induced zwitterion formation in the catalytic Cys-His dyad of the SARS-CoV main protease. Biochemistry. 53: 5930-46. PMID 25196915 DOI: 10.1021/Bi400604T  0.606
2014 Troiano V, Scarbaci K, Ettari R, Micale N, Cerchia C, Pinto A, Schirmeister T, Novellino E, Grasso S, Lavecchia A, Zappalà M. Optimization of peptidomimetic boronates bearing a P3 bicyclic scaffold as proteasome inhibitors. European Journal of Medicinal Chemistry. 83: 1-14. PMID 24946214 DOI: 10.1016/J.Ejmech.2014.06.017  0.432
2014 Ettari R, Pinto A, Tamborini L, Angelo IC, Grasso S, Zappalà M, Capodicasa N, Yzeiraj L, Gruber E, Aminake MN, Pradel G, Schirmeister T, De Micheli C, Conti P. Synthesis and biological evaluation of papain-family cathepsin L-like cysteine protease inhibitors containing a 1,4-benzodiazepine scaffold as antiprotozoal agents. Chemmedchem. 9: 1817-25. PMID 24919925 DOI: 10.1002/Cmdc.201402079  0.474
2014 Scarbaci K, Troiano V, Ettari R, Pinto A, Micale N, Di Giovanni C, Cerchia C, Schirmeister T, Novellino E, Lavecchia A, Zappalà M, Grasso S. Development of novel selective peptidomimetics containing a boronic acid moiety, targeting the 20S proteasome as anticancer agents. Chemmedchem. 9: 1801-16. PMID 24891205 DOI: 10.1002/Cmdc.201402075  0.465
2014 Oli S, Abdelmohsen UR, Hentschel U, Schirmeister T. Identification of plakortide E from the Caribbean sponge Plakortis halichondroides as a trypanocidal protease inhibitor using bioactivity-guided fractionation. Marine Drugs. 12: 2614-22. PMID 24798927 DOI: 10.3390/Md12052614  0.432
2014 Scarbaci K, Troiano V, Micale N, Ettari R, Tamborini L, Di Giovanni C, Cerchia C, Grasso S, Novellino E, Schirmeister T, Lavecchia A, Zappalà M. Identification of a new series of amides as non-covalent proteasome inhibitors. European Journal of Medicinal Chemistry. 76: 1-9. PMID 24561716 DOI: 10.1016/J.Ejmech.2014.01.022  0.409
2014 de Sousa L, Nebo L, Fernandes J, das M, da Silva G, Kiefer W, Schirmeister T, Vieira P. Leishmanicidal compounds as inhibitors of cathepsin L Planta Medica. 80. DOI: 10.1055/S-0034-1382613  0.403
2013 Paasche A, Schirmeister T, Engels B. Benchmark Study for the Cysteine-Histidine Proton Transfer Reaction in a Protein Environment: Gas Phase, COSMO, QM/MM Approaches. Journal of Chemical Theory and Computation. 9: 1765-77. PMID 26587634 DOI: 10.1021/Ct301082Y  0.487
2013 Ettari R, Tamborini L, Angelo IC, Grasso S, Schirmeister T, Lo Presti L, De Micheli C, Pinto A, Conti P. Development of rhodesain inhibitors with a 3-bromoisoxazoline warhead. Chemmedchem. 8: 2070-6. PMID 24243827 DOI: 10.1002/Cmdc.201300390  0.475
2013 Ehmke V, Winkler E, Banner DW, Haap W, Schweizer WB, Rottmann M, Kaiser M, Freymond C, Schirmeister T, Diederich F. Optimization of triazine nitriles as rhodesain inhibitors: structure-activity relationships, bioisosteric imidazopyridine nitriles, and X-ray crystal structure analysis with human cathepsin L. Chemmedchem. 8: 967-75. PMID 23658062 DOI: 10.1002/Cmdc.201300112  0.459
2013 Micale N, Ettari R, Lavecchia A, Di Giovanni C, Scarbaci K, Troiano V, Grasso S, Novellino E, Schirmeister T, Zappalà M. Development of peptidomimetic boronates as proteasome inhibitors. European Journal of Medicinal Chemistry. 64: 23-34. PMID 23639651 DOI: 10.1016/J.Ejmech.2013.03.032  0.446
2013 Grabowsky S, Jayatilaka D, Fink RF, Schirmeister T, Engels B. Can experimental electron-density studies be used as a tool to predict biologically relevant properties of low-molecular weight enzyme ligands? Zeitschrift Fur Anorganische Und Allgemeine Chemie. 639: 1905-1921. DOI: 10.1002/Zaac.201200518  0.552
2013 Grabowsky S, Jayatilaka D, Fink RF, Schirmeister T, Engels B. ChemInform Abstract: Can Experimental Electron-Density Studies be Used as a Tool to Predict Biologically Relevant Properties of Low-Molecular Weight Enzyme Ligands? Cheminform. 44: no-no. DOI: 10.1002/CHIN.201349226  0.444
2012 Abdelmohsen UR, Szesny M, Othman EM, Schirmeister T, Grond S, Stopper H, Hentschel U. Antioxidant and anti-protease activities of diazepinomicin from the sponge-associated Micromonospora strain RV115. Marine Drugs. 10: 2208-21. PMID 23170078 DOI: 10.3390/Md10102208  0.348
2012 Ettari R, Micale N, Grazioso G, Bova F, Schirmeister T, Grasso S, Zappalà M. Synthesis and molecular modeling studies of derivatives of a highly potent peptidomimetic vinyl ester as falcipain-2 inhibitors. Chemmedchem. 7: 1594-600. PMID 22753258 DOI: 10.1002/Cmdc.201200274  0.473
2012 Ehmke V, Quinsaat JE, Rivera-Fuentes P, Heindl C, Freymond C, Rottmann M, Brun R, Schirmeister T, Diederich F. Tuning and predicting biological affinity: aryl nitriles as cysteine protease inhibitors. Organic & Biomolecular Chemistry. 10: 5764-8. PMID 22336919 DOI: 10.1039/C2Ob00034B  0.405
2012 Tabares P, Degel B, Schaschke N, Hentschel U, Schirmeister T. Identification of the protease inhibitor miraziridine A in the Red sea sponge Theonella swinhoei. Pharmacognosy Research. 4: 63-6. PMID 22224064 DOI: 10.4103/0974-8490.91047  0.356
2012 Engels B, Schmidt TC, Gatti C, Schirmeister T, Fink RF. Challenging problems in charge density determination: Polar bonds and influence of the environment Structure and Bonding. 147: 47-98. DOI: 10.1007/430_2010_36  0.389
2011 Pimentel-Elardo SM, Buback V, Gulder TA, Bugni TS, Reppart J, Bringmann G, Ireland CM, Schirmeister T, Hentschel U. New tetromycin derivatives with anti-trypanosomal and protease inhibitory activities. Marine Drugs. 9: 1682-97. PMID 22072992 DOI: 10.3390/Md9101682  0.411
2011 Micale N, Cinellu MA, Maiore L, Sannella AR, Severini C, Schirmeister T, Gabbiani C, Messori L. Selected gold compounds cause pronounced inhibition of Falcipain 2 and effectively block P. falciparum growth in vitro. Journal of Inorganic Biochemistry. 105: 1576-9. PMID 22071081 DOI: 10.1016/J.Jinorgbio.2011.09.006  0.437
2011 Grabowsky S, Weber M, Jayatilaka D, Chen YS, Grabowski MT, Brehme R, Hesse M, Schirmeister T, Luger P. Reactivity differences between α,β-unsaturated carbonyls and hydrazones investigated by experimental and theoretical electron density and electron localizability analyses. The Journal of Physical Chemistry. A. 115: 12715-32. PMID 21780784 DOI: 10.1021/Jp203677C  0.314
2011 Langolf S, Machon U, Ehlers M, Sicking W, Schirmeister T, Büchhold C, Gelhaus C, Rosenthal PJ, Schmuck C. Development of antitrypanosomal and antiplasmodial nonpeptidic cysteine protease inhibitors based on N-protected-guanidino-furan and -pyrrole building blocks. Chemmedchem. 6: 1581-6. PMID 21678556 DOI: 10.1002/Cmdc.201100189  0.388
2011 Ettari R, Bonaccorso C, Micale N, Heindl C, Schirmeister T, Calabrò ML, Grasso S, Zappalà M. Development of novel peptidomimetics containing a vinyl sulfone moiety as proteasome inhibitors. Chemmedchem. 6: 1228-37. PMID 21506279 DOI: 10.1002/Cmdc.201100093  0.435
2011 Ettari R, Zappalà M, Micale N, Grazioso G, Giofrè S, Schirmeister T, Grasso S. Peptidomimetics containing a vinyl ketone warhead as falcipain-2 inhibitors. European Journal of Medicinal Chemistry. 46: 2058-65. PMID 21420760 DOI: 10.1016/J.Ejmech.2011.02.058  0.452
2011 Ehmke V, Heindl C, Rottmann M, Freymond C, Schweizer WB, Brun R, Stich A, Schirmeister T, Diederich F. Potent and selective inhibition of cysteine proteases from Plasmodium falciparum and Trypanosoma brucei. Chemmedchem. 6: 273-8. PMID 21275051 DOI: 10.1002/Cmdc.201000449  0.426
2011 Grabowsky S, Schirmeister T, Paulmann C, Pfeuffer T, Luger P. Effect of electron-withdrawing substituents on the epoxide ring: an experimental and theoretical electron density analysis of a series of epoxide derivatives. The Journal of Organic Chemistry. 76: 1305-18. PMID 21250719 DOI: 10.1021/Jo102125N  0.328
2011 Büchold C, Hemberger Y, Heindl C, Welker A, Degel B, Pfeuffer T, Staib P, Schneider S, Rosenthal PJ, Gut J, Morschhäuser J, Bringmann G, Schirmeister T. New cis-configured aziridine-2-carboxylates as aspartic acid protease inhibitors. Chemmedchem. 6: 141-52. PMID 21082722 DOI: 10.1002/Cmdc.201000370  0.306
2011 Büchold C, Hemberger Y, Heindl C, Welker A, Degel B, Pfeuffer T, Staib P, Schneider S, Rosenthal PJ, Gut J, Morschhäuser J, Bringmann G, Schirmeister T. New cis-configured aziridine-2-carboxylates as aspartic acid protease inhibitors. Chemmedchem. 6: 141-52. PMID 21082722 DOI: 10.1002/Cmdc.201000370  0.306
2011 Ehmke V, Kilchmann F, Heindl C, Cui K, Huang J, Schirmeister T, Diederich F. Peptidomimetic nitriles as selective inhibitors for the malarial cysteine protease falcipain-2 Medchemcomm. 2: 800. DOI: 10.1039/C1Md00115A  0.475
2010 Schurigt U, Schad C, Glowa C, Baum U, Thomale K, Schnitzer JK, Schultheis M, Schaschke N, Schirmeister T, Moll H. Aziridine-2,3-dicarboxylate-based cysteine cathepsin inhibitors induce cell death in Leishmania major associated with accumulation of debris in autophagy-related lysosome-like vacuoles. Antimicrobial Agents and Chemotherapy. 54: 5028-41. PMID 20855728 DOI: 10.1128/Aac.00327-10  0.32
2010 Schurigt U, Schad C, Glowa C, Baum U, Thomale K, Schnitzer JK, Schultheis M, Schaschke N, Schirmeister T, Moll H. Aziridine-2,3-dicarboxylate-based cysteine cathepsin inhibitors induce cell death in Leishmania major associated with accumulation of debris in autophagy-related lysosome-like vacuoles. Antimicrobial Agents and Chemotherapy. 54: 5028-41. PMID 20855728 DOI: 10.1128/Aac.00327-10  0.32
2010 Waag T, Gelhaus C, Rath J, Stich A, Leippe M, Schirmeister T. Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorganic & Medicinal Chemistry Letters. 20: 5541-3. PMID 20692829 DOI: 10.1016/J.Bmcl.2010.07.062  0.428
2010 Waag T, Gelhaus C, Rath J, Stich A, Leippe M, Schirmeister T. Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorganic & Medicinal Chemistry Letters. 20: 5541-3. PMID 20692829 DOI: 10.1016/j.bmcl.2010.07.062  0.318
2010 Bova F, Ettari R, Micale N, Carnovale C, Schirmeister T, Gelhaus C, Leippe M, Grasso S, Zappalà M. Constrained peptidomimetics as antiplasmodial falcipain-2 inhibitors. Bioorganic & Medicinal Chemistry. 18: 4928-38. PMID 20598553 DOI: 10.1016/J.Bmc.2010.06.010  0.454
2010 Bova F, Ettari R, Micale N, Carnovale C, Schirmeister T, Gelhaus C, Leippe M, Grasso S, Zappalà M. Constrained peptidomimetics as antiplasmodial falcipain-2 inhibitors. Bioorganic & Medicinal Chemistry. 18: 4928-38. PMID 20598553 DOI: 10.1016/j.bmc.2010.06.010  0.349
2010 Paasche A, Schiller M, Schirmeister T, Engels B. Mechanistic study of the reaction of thiol-containing enzymes with alpha,beta-unsaturated carbonyl substrates by computation and chemoassays. Chemmedchem. 5: 869-80. PMID 20401893 DOI: 10.1002/Cmdc.201000020  0.533
2010 Paasche A, Schiller M, Schirmeister T, Engels B. Mechanistic study of the reaction of thiol-containing enzymes with alpha,beta-unsaturated carbonyl substrates by computation and chemoassays. Chemmedchem. 5: 869-80. PMID 20401893 DOI: 10.1002/Cmdc.201000020  0.533
2010 Ludewig S, Kossner M, Schiller M, Baumann K, Schirmeister T. Enzyme kinetics and hit validation in fluorimetric protease assays. Current Topics in Medicinal Chemistry. 10: 368-82. PMID 20166949 DOI: 10.2174/156802610790725498  0.417
2010 Ludewig S, Kossner M, Schiller M, Baumann K, Schirmeister T. Enzyme kinetics and hit validation in fluorimetric protease assays. Current Topics in Medicinal Chemistry. 10: 368-82. PMID 20166949  0.305
2010 Breuning A, Degel B, Schulz F, Büchold C, Stempka M, Machon U, Heppner S, Gelhaus C, Leippe M, Leyh M, Kisker C, Rath J, Stich A, Gut J, Rosenthal PJ, ... ... Schirmeister T, et al. Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids. Journal of Medicinal Chemistry. 53: 1951-63. PMID 20131843 DOI: 10.1021/Jm900946N  0.417
2010 Breuning A, Degel B, Schulz F, Büchold C, Stempka M, Machon U, Heppner S, Gelhaus C, Leippe M, Leyh M, Kisker C, Rath J, Stich A, Gut J, Rosenthal PJ, ... ... Schirmeister T, et al. Michael acceptor based antiplasmodial and antitrypanosomal cysteine protease inhibitors with unusual amino acids. Journal of Medicinal Chemistry. 53: 1951-63. PMID 20131843 DOI: 10.1021/Jm900946N  0.417
2010 Nowotny B, Schneider T, Pradel G, Schirmeister T, Rethwilm A, Kirschner M. Inducible APOBEC3G-Vif double stable cell line as a high-throughput screening platform to identify antiviral compounds. Antimicrobial Agents and Chemotherapy. 54: 78-87. PMID 19841153 DOI: 10.1128/Aac.00775-09  0.309
2009 Paasche A, Arnone M, Fink RF, Schirmeister T, Engels B. Origin of the reactivity differences of substituted aziridines: CN vs CC bond breakages. The Journal of Organic Chemistry. 74: 5244-9. PMID 19719251 DOI: 10.1021/Jo900505Q  0.458
2009 Paasche A, Arnone M, Fink RF, Schirmeister T, Engels B. Origin of the reactivity differences of substituted aziridines: CN vs CC bond breakages. The Journal of Organic Chemistry. 74: 5244-9. PMID 19719251 DOI: 10.1021/Jo900505Q  0.458
2009 Machon U, Büchold C, Stempka M, Schirmeister T, Gelhaus C, Leippe M, Gut J, Rosenthal PJ, Kisker C, Leyh M, Schmuck C. On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences. Journal of Medicinal Chemistry. 52: 5662-72. PMID 19715342 DOI: 10.1021/Jm900629W  0.34
2009 Machon U, Büchold C, Stempka M, Schirmeister T, Gelhaus C, Leippe M, Gut J, Rosenthal PJ, Kisker C, Leyh M, Schmuck C. On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide sequences. Journal of Medicinal Chemistry. 52: 5662-72. PMID 19715342 DOI: 10.1021/Jm900629W  0.34
2009 Micale N, Ettari R, Schirmeister T, Evers A, Gelhaus C, Leippe M, Zappalà M, Grasso S. Novel 2H-isoquinolin-3-ones as antiplasmodial falcipain-2 inhibitors. Bioorganic & Medicinal Chemistry. 17: 6505-11. PMID 19709887 DOI: 10.1016/J.Bmc.2009.08.013  0.426
2009 Micale N, Ettari R, Schirmeister T, Evers A, Gelhaus C, Leippe M, Zappalà M, Grasso S. Novel 2H-isoquinolin-3-ones as antiplasmodial falcipain-2 inhibitors. Bioorganic & Medicinal Chemistry. 17: 6505-11. PMID 19709887 DOI: 10.1016/j.bmc.2009.08.013  0.316
2009 Buback V, Mladenovic M, Engels B, Schirmeister T. Rational design of improved aziridine-based inhibitors of cysteine proteases. The Journal of Physical Chemistry. B. 113: 5282-9. PMID 19301885 DOI: 10.1021/Jp810549N  0.622
2009 Buback V, Mladenovic M, Engels B, Schirmeister T. Rational design of improved aziridine-based inhibitors of cysteine proteases. The Journal of Physical Chemistry. B. 113: 5282-9. PMID 19301885 DOI: 10.1021/Jp810549N  0.622
2009 Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M. Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. Journal of Medicinal Chemistry. 52: 2157-60. PMID 19296600 DOI: 10.1021/Jm900047J  0.429
2009 Ettari R, Micale N, Schirmeister T, Gelhaus C, Leippe M, Nizi E, Di Francesco ME, Grasso S, Zappalà M. Novel peptidomimetics containing a vinyl ester moiety as highly potent and selective falcipain-2 inhibitors. Journal of Medicinal Chemistry. 52: 2157-60. PMID 19296600 DOI: 10.1021/jm900047j  0.319
2009 Dude MA, Kaeppler U, Herb M, Schiller M, Schulz F, Vedder B, Heppner S, Pradel G, Gut J, Rosenthal PJ, Schirmeister T, Leippe M, Gelhaus C. Synthesis and Evaluation of Non-peptidic Cysteine Protease Inhibitors of P. falciparum Derived from Etacrynic Acid Molecules. 14: 19-35. PMID 19104483 DOI: 10.3390/Molecules14010019  0.314
2009 Dude MA, Kaeppler U, Herb M, Schiller M, Schulz F, Vedder B, Heppner S, Pradel G, Gut J, Rosenthal PJ, Schirmeister T, Leippe M, Gelhaus C. Synthesis and Evaluation of Non-peptidic Cysteine Protease Inhibitors of P. falciparum Derived from Etacrynic Acid Molecules. 14: 19-35. PMID 19104483 DOI: 10.3390/Molecules14010019  0.314
2008 Mladenovic M, Ansorg K, Fink RF, Thiel W, Schirmeister T, Engels B. Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors. The Journal of Physical Chemistry. B. 112: 11798-808. PMID 18712902 DOI: 10.1021/Jp803895F  0.579
2008 Grabowsky S, Pfeuffer T, Morgenroth W, Paulmann C, Schirmeister T, Luger P. A comparative study on the experimentally derived electron densities of three protease inhibitor model compounds. Organic & Biomolecular Chemistry. 6: 2295-307. PMID 18563262 DOI: 10.1039/B802831A  0.375
2008 Mladenovic M, Fink RF, Thiel W, Schirmeister T, Engels B. On the origin of the stabilization of the zwitterionic resting state of cysteine proteases: A theoretical study Journal of the American Chemical Society. 130: 8696-8705. PMID 18557615 DOI: 10.1021/Ja711043X  0.537
2008 Ettari R, Nizi E, Di Francesco ME, Micale N, Grasso S, Zappalà M, Vicík R, Schirmeister T. Nonpeptidic vinyl and allyl phosphonates as falcipain-2 inhibitors. Chemmedchem. 3: 1030-3. PMID 18428116 DOI: 10.1002/Cmdc.200800050  0.456
2008 Ettari R, Nizi E, Di Francesco ME, Micale N, Grasso S, Zappalà M, Vicík R, Schirmeister T. Nonpeptidic vinyl and allyl phosphonates as falcipain-2 inhibitors. Chemmedchem. 3: 1030-3. PMID 18428116 DOI: 10.1002/cmdc.200800050  0.352
2008 Mladenovic M, Junold K, Fink RF, Thiel W, Schirmeister T, Engels B. Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors. The Journal of Physical Chemistry. B. 112: 5458-69. PMID 18393547 DOI: 10.1021/Jp711287C  0.651
2008 Mladenovic M, Junold K, Fink RF, Thiel W, Schirmeister T, Engels B. Atomistic insights into the inhibition of cysteine proteases: first QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors. The Journal of Physical Chemistry. B. 112: 5458-69. PMID 18393547 DOI: 10.1021/jp711287c  0.412
2008 Rupp I, Bosse R, Schirmeister T, Pradel G. Effect of protease inhibitors on exflagellation in Plasmodium falciparum. Molecular and Biochemical Parasitology. 158: 208-12. PMID 18243365 DOI: 10.1016/J.Molbiopara.2007.12.009  0.468
2008 Rupp I, Bosse R, Schirmeister T, Pradel G. Effect of protease inhibitors on exflagellation in Plasmodium falciparum. Molecular and Biochemical Parasitology. 158: 208-12. PMID 18243365 DOI: 10.1016/j.molbiopara.2007.12.009  0.366
2008 Ettari R, Nizi E, Di Francesco ME, Dude MA, Pradel G, Vicík R, Schirmeister T, Micale N, Grasso S, Zappalà M. Development of peptidomimetics with a vinyl sulfone warhead as irreversible falcipain-2 inhibitors. Journal of Medicinal Chemistry. 51: 988-96. PMID 18232656 DOI: 10.1021/Jm701141U  0.442
2008 Ettari R, Nizi E, Di Francesco ME, Dude MA, Pradel G, Vicík R, Schirmeister T, Micale N, Grasso S, Zappalà M. Development of peptidomimetics with a vinyl sulfone warhead as irreversible falcipain-2 inhibitors. Journal of Medicinal Chemistry. 51: 988-96. PMID 18232656 DOI: 10.1021/jm701141u  0.361
2008 Degel B, Staib P, Rohrer S, Scheiber J, Martina E, Büchold C, Baumann K, Morschhäuser J, Schirmeister T. Cis-Configured aziridines are new pseudo-irreversible dual-mode inhibitors of Candida albicans secreted aspartic protease 2. Chemmedchem. 3: 302-15. PMID 18038380 DOI: 10.1002/Cmdc.200700101  0.485
2008 Staib P, Lermann U, Blass-Warmuth J, Degel B, Würzner R, Monod M, Schirmeister T, Morschhäuser J. Tetracycline-inducible expression of individual secreted aspartic proteases in Candida albicans allows isoenzyme-specific inhibitor screening. Antimicrobial Agents and Chemotherapy. 52: 146-56. PMID 17954688 DOI: 10.1128/Aac.01072-07  0.347
2008 Mladenovic M, Ansorg K, Fink RF, Thiel W, Schirmeister T, Engels B. Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the stereoselectivity of epoxide-based inhibitors Journal of Physical Chemistry B. 112: 11798-11808. DOI: 10.1021/jp803895f  0.569
2008 Mladenovic M, Junold K, Fink RF, Thiel W, Schirmeister T, Engels B. Atomistic insights into the inhibition of cysteine proteases: First QM/MM calculations clarifying the regiospecificity and the inhibition potency of epoxide- and aziridine-based inhibitors Journal of Physical Chemistry B. 112: 5458-5469. DOI: 10.1021/jp711287c  0.572
2007 Schulz F, Gelhaus C, Degel B, Vicik R, Heppner S, Breuning A, Leippe M, Gut J, Rosenthal PJ, Schirmeister T. Screening of protease inhibitors as antiplasmodial agents. Part I: Aziridines and epoxides. Chemmedchem. 2: 1214-24. PMID 17562535 DOI: 10.1002/Cmdc.200700070  0.485
2007 Schulz F, Gelhaus C, Degel B, Vicik R, Heppner S, Breuning A, Leippe M, Gut J, Rosenthal PJ, Schirmeister T. Screening of protease inhibitors as antiplasmodial agents. Part I: Aziridines and epoxides. Chemmedchem. 2: 1214-24. PMID 17562535 DOI: 10.1002/cmdc.200700070  0.386
2007 Caffrey CR, Steverding D, Swenerton RK, Kelly B, Walshe D, Debnath A, Zhou YM, Doyle PS, Fafarman AT, Zorn JA, Land KM, Beauchene J, Schreiber K, Moll H, Ponte-Sucre A, ... Schirmeister T, et al. Bis-acridines as lead antiparasitic agents: structure-activity analysis of a discrete compound library in vitro. Antimicrobial Agents and Chemotherapy. 51: 2164-72. PMID 17371810 DOI: 10.1128/Aac.01418-06  0.4
2007 Mladenovic M, Schirmeister T, Thiel S, Thiel W, Engels B. The importance of the active site histidine for the activity of epoxide- or aziridine-based inhibitors of cysteine proteases Chemmedchem. 2: 120-128. PMID 17066390 DOI: 10.1002/Cmdc.200600159  0.624
2007 Grabowsky S, Pfeuffer T, Chęcińska L, Weber M, Morgenroth W, Luger P, Schirmeister T. Cover Picture: Electron-Density Determination of Electrophilic Building Blocks as Model Compounds for Protease Inhibitors (Eur. J. Org. Chem. 17/2007) European Journal of Organic Chemistry. 2007: 2735-2735. DOI: 10.1002/Ejoc.200790032  0.366
2007 Grabowsky S, Pfeuffer T, Chęcińska L, Weber M, Morgenroth W, Luger P, Schirmeister T. Electron-Density Determination of Electrophilic Building Blocks as Model Compounds for Protease Inhibitors European Journal of Organic Chemistry. 2007: 2759-2768. DOI: 10.1002/Ejoc.200601074  0.432
2006 Vicik R, Busemann M, Gelhaus C, Stiefl N, Scheiber J, Schmitz W, Schulz F, Mladenovic M, Engels B, Leippe M, Baumann K, Schirmeister T. Aziridide-based inhibitors of cathepsin L: synthesis, inhibition activity, and docking studies. Chemmedchem. 1: 1126-41. PMID 16933358 DOI: 10.1002/Cmdc.200600106  0.585
2006 Vicik R, Busemann M, Gelhaus C, Stiefl N, Scheiber J, Schmitz W, Schulz F, Mladenovic M, Engels B, Leippe M, Baumann K, Schirmeister T. Aziridide-based inhibitors of cathepsin L: synthesis, inhibition activity, and docking studies. Chemmedchem. 1: 1126-41. PMID 16933358 DOI: 10.1002/Cmdc.200600106  0.585
2006 Vicik R, Helten H, Schirmeister T, Engels B. Rational design of aziridine-containing cysteine protease inhibitors with improved potency: studies on inhibition mechanism. Chemmedchem. 1: 1021-8. PMID 16933238 DOI: 10.1002/Cmdc.200600081  0.606
2006 Vicik R, Helten H, Schirmeister T, Engels B. Rational design of aziridine-containing cysteine protease inhibitors with improved potency: studies on inhibition mechanism. Chemmedchem. 1: 1021-8. PMID 16933238 DOI: 10.1002/cmdc.200600081  0.335
2006 Ponte-Sucre A, Vicik R, Schultheis M, Schirmeister T, Moll H. Aziridine-2,3-dicarboxylates, peptidomimetic cysteine protease inhibitors with antileishmanial activity. Antimicrobial Agents and Chemotherapy. 50: 2439-47. PMID 16801424 DOI: 10.1128/Aac.01430-05  0.357
2006 Kaeppler U, Schirmeister T. New non-peptidic inhibitors of papain derived from etacrynic acid. Medicinal Chemistry (Shariqah (United Arab Emirates)). 1: 361-70. PMID 16789893 DOI: 10.2174/1573406054368701  0.316
2006 Vicik R, Busemann M, Baumann K, Schirmeister T. Inhibitors of cysteine proteases. Current Topics in Medicinal Chemistry. 6: 331-53. PMID 16611146  0.408
2006 Vicik R, Busemann M, Baumann K, Schirmeister T. Inhibitors of cysteine proteases. Current Topics in Medicinal Chemistry. 6: 331-53. PMID 16611146  0.408
2005 Kaeppler U, Stiefl N, Schiller M, Vicik R, Breuning A, Schmitz W, Rupprecht D, Schmuck C, Baumann K, Ziebuhr J, Schirmeister T. A new lead for nonpeptidic active-site-directed inhibitors of the severe acute respiratory syndrome coronavirus main protease discovered by a combination of screening and docking methods. Journal of Medicinal Chemistry. 48: 6832-42. PMID 16250642 DOI: 10.1021/Jm0501782  0.376
2005 Kaeppler U, Stiefl N, Schiller M, Vicik R, Breuning A, Schmitz W, Rupprecht D, Schmuck C, Baumann K, Ziebuhr J, Schirmeister T. A new lead for nonpeptidic active-site-directed inhibitors of the severe acute respiratory syndrome coronavirus main protease discovered by a combination of screening and docking methods. Journal of Medicinal Chemistry. 48: 6832-42. PMID 16250642 DOI: 10.1021/Jm0501782  0.376
2005 Martina E, Stiefl N, Degel B, Schulz F, Breuning A, Schiller M, Vicik R, Baumann K, Ziebuhr J, Schirmeister T. Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor. Bioorganic & Medicinal Chemistry Letters. 15: 5365-9. PMID 16216498 DOI: 10.1016/J.Bmcl.2005.09.012  0.451
2005 Martina E, Stiefl N, Degel B, Schulz F, Breuning A, Schiller M, Vicik R, Baumann K, Ziebuhr J, Schirmeister T. Screening of electrophilic compounds yields an aziridinyl peptide as new active-site directed SARS-CoV main protease inhibitor. Bioorganic & Medicinal Chemistry Letters. 15: 5365-9. PMID 16216498 DOI: 10.1016/j.bmcl.2005.09.012  0.345
2005 Gelhaus C, Vicik R, Schirmeister T, Leippe M. Blocking effect of a biotinylated protease inhibitor on the egress of Plasmodium falciparum merozoites from infected red blood cells. Biological Chemistry. 386: 499-502. PMID 15927894 DOI: 10.1515/Bc.2005.059  0.377
2005 Bitar Y, Degel B, Schirmeister T, Holzgrabe U. Development and validation of a separation method for the diastereomers and enantiomers of aziridine-type protease inhibitors. Electrophoresis. 26: 2313-9. PMID 15912540 DOI: 10.1002/Elps.200410302  0.325
2005 Helten H, Schirmeister T, Engels B. Theoretical studies about the influence of different ring substituents on the nucleophilic ring opening of three-membered heterocycles and possible implications for the mechanisms of cysteine protease inhibitors. The Journal of Organic Chemistry. 70: 233-7. PMID 15624927 DOI: 10.1021/Jo048373W  0.6
2005 Helten H, Schirmeister T, Engels B. Theoretical studies about the influence of different ring substituents on the nucleophilic ring opening of three-membered heterocycles and possible implications for the mechanisms of cysteine protease inhibitors. The Journal of Organic Chemistry. 70: 233-7. PMID 15624927 DOI: 10.1021/jo048373w  0.352
2004 Gelhaus C, Vicik R, Hilgenfeld R, Schmidt CL, Leippe M, Schirmeister T. Synthesis and antiplasmodial activity of a cysteine protease-inhibiting biotinylated aziridine-2,3-dicarboxylate. Biological Chemistry. 385: 435-8. PMID 15196005 DOI: 10.1515/Bc.2004.050  0.462
2004 Bruno G, Schirmeister T. Thiirancarboxamides as inhibitors of papain. Archiv Der Pharmazie. 337: 90-5. PMID 14981665 DOI: 10.1002/Ardp.200300820  0.414
2004 Bruno G, Schirmeister T. Thiirancarboxamides as inhibitors of papain. Archiv Der Pharmazie. 337: 90-5. PMID 14981665 DOI: 10.1002/ardp.200300820  0.301
2004 Schirmeister T, Breuning A, Murso A, Stalke D, Mladenovic M, Engels B, Szeghalmi A, Schmitt M, Kiefer W, Popp J. Conformation and Hydrogen Bonding Properties of an Aziridinyl Peptide:  X-ray Structure Analysis, Raman Spectroscopy and Theoretical Investigations The Journal of Physical Chemistry A. 108: 11398-11408. DOI: 10.1021/Jp047026N  0.49
2003 Schirmeister T, Klockow A. Cysteine protease inhibitors containing small rings. Mini Reviews in Medicinal Chemistry. 3: 585-96. PMID 12871161 DOI: 10.2174/1389557033487935  0.341
2003 Breuning A, Vicik R, Schirmeister T. An improved synthesis of aziridine-2,3-dicarboxylates via azido alcohols—epimerization studies Tetrahedron: Asymmetry. 14: 3301-3312. DOI: 10.1016/J.Tetasy.2003.09.015  0.326
2001 Schirmeister T. (S)-Thiirancarboxylic acid as a reactive building block for a new class of cysteine protease inhibitors. Bioorganic & Medicinal Chemistry Letters. 10: 2647-51. PMID 11128643 DOI: 10.1016/S0960-894X(00)00549-7  0.412
2001 Achilles K, Schneider M, Schirmeister T, Otto H. ChemInform Abstract: β-Lactam Derivatives as Enzyme Inhibitors: N-Substituted Derivatives of (S)-4-Oxoazetidine-2-carboxylate as Inhibitors of Elastase and Papain. Cheminform. 32: no-no. DOI: 10.1002/CHIN.200108187  0.315
2000 Achilles K, Schirmeister T, Otto HH. beta-Lactam derivatives as enzyme inhibitors: 1-peptidyl derivatives of 4-phenylazetidin-2-one as inhibitors of elastase and papain. Archiv Der Pharmazie. 333: 243-53. PMID 11008374 DOI: 10.1002/1521-4184(20008)333:8<243::Aid-Ardp243>3.0.Co;2-O  0.66
2000 Schirmeister T, Peric M. Aziridinyl peptides as inhibitors of cysteine proteases: effect of a free carboxylic acid function on inhibition. Bioorganic & Medicinal Chemistry. 8: 1281-91. PMID 10896108 DOI: 10.1016/S0968-0896(00)00058-4  0.434
1999 Schirmeister T. Inhibition of cysteine proteases by peptides containing aziridine-2,3-dicarboxylic acid building blocks. Biopolymers. 51: 87-97. PMID 10380356 DOI: 10.1002/(Sici)1097-0282(1999)51:1<87::Aid-Bip10>3.0.Co;2-Z  0.469
1999 Schirmeister T. New peptidic cysteine protease inhibitors derived from the electrophilic alpha-amino acid aziridine-2,3-dicarboxylic acid. Journal of Medicinal Chemistry. 42: 560-72. PMID 10052963 DOI: 10.1021/Jm981061Z  0.45
1998 Schirmeister T. Metal Ions as Co-Inhibitors of Serine Proteases: A New Approach in the Search for Specific High-Affinity Ligands Angewandte Chemie International Edition. 37: 1830-1832. DOI: 10.1002/(Sici)1521-3773(19980803)37:13/14<1830::Aid-Anie1830>3.0.Co;2-F  0.317
1998 Schirmeister T. Metallionen als Coinhibitoren von Serin-Proteasen: ein neuer Ansatz bei der Suche nach hochaffinen und spezifischen Liganden Angewandte Chemie. 110: 1930-1932. DOI: 10.1002/(Sici)1521-3757(19980703)110:13/14<1930::Aid-Ange1930>3.0.Co;2-L  0.355
1997 Otto HH, Schirmeister T. Cysteine Proteases and Their Inhibitors. Chemical Reviews. 97: 133-172. PMID 11848867 DOI: 10.1021/Cr950025U  0.673
1996 Schirmeister T. Aziridine-2,3-dicarboxylic Acid Derivatives as Inhibitors of Papain Archiv Der Pharmazie. 329: 239-244. DOI: 10.1002/Ardp.19963290504  0.378
1993 Schirmeister T, Otto HH. Enzyme-catalyzed hydrolyses of E/Z-diastereotopic and E/Z-diastereomeric esters. Effect on selectivity by reaction media The Journal of Organic Chemistry. 58: 4819-4822. DOI: 10.1021/Jo00070A015  0.322
1993 Schirmeister T, Otto H. E/Z Diastereoselective Enzymatic Hydrolysis of Esters and Diesters Angewandte Chemie International Edition in English. 32: 572-574. DOI: 10.1002/Anie.199305721  0.568
1993 Schirmeister T, Otto H. E/Z-Diastereoselektive enzymatische Hydrolyse von Estern und Diestern Angewandte Chemie. 105: 613-614. DOI: 10.1002/Ange.19931050429  0.542
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