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David G. Hangauer - Publications

Affiliations: 
State University of New York, Buffalo, Buffalo, NY, United States 
Area:
Organic Chemistry, Pharmaceutical Chemistry, Biochemistry
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30 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
2018 Ciesielski MJ, Bu Y, Munich SA, Teegarden P, Smolinski MP, Clements JL, Lau JYN, Hangauer DG, Fenstermaker RA. KX2-361: a novel orally bioavailable small molecule dual Src/tubulin inhibitor that provides long term survival in a murine model of glioblastoma. Journal of Neuro-Oncology. PMID 30238350 DOI: 10.1007/S11060-018-2992-4  0.7
2018 Smolinski MP, Bu Y, Clements J, Gelman IH, Hegab T, Cutler DL, Fang JWS, Fetterly G, Kwan R, Barnett A, Lau JYN, Hangauer DG. Discovery of Novel Dual Mechanism of Action Src Signaling and Tubulin Polymerization Inhibitors (KX2-391 and KX2-361). Journal of Medicinal Chemistry. PMID 29617135 DOI: 10.1021/Acs.Jmedchem.8B00164  0.73
2017 Nasief NN, Said AM, Hangauer D. Modulating hydrogen-bond basicity within the context of protein-ligand binding: A case study with thrombin inhibitors that reveals a dominating role for desolvation. European Journal of Medicinal Chemistry. 125: 975-991. PMID 27816890 DOI: 10.1016/J.Ejmech.2016.09.038  0.535
2016 Kim S, Min A, Lee KH, Yang Y, Kim TY, Lim JM, Park SJ, Nam HJ, Kim JE, Song SH, Han SW, Oh DY, Kim JH, Kim TY, Hangauer D, et al. Anti-tumor Effect of KX-01 Through Inhibiting Src Family Kinases and Mitosis. Cancer Research and Treatment : Official Journal of Korean Cancer Association. PMID 27737538 DOI: 10.4143/Crt.2016.168  0.374
2016 Said AM, Hangauer DG. Ligand binding cooperativity: Bioisosteric replacement of CO with SO2 among thrombin inhibitors. Bioorganic & Medicinal Chemistry Letters. PMID 27445170 DOI: 10.1016/J.Bmcl.2016.07.024  0.517
2015 Said AM, Hangauer DG. Binding cooperativity between a ligand carbonyl group and a hydrophobic side chain can be enhanced by additional H-bonds in a distance dependent manner: A case study with thrombin inhibitors. European Journal of Medicinal Chemistry. 96: 405-24. PMID 25912673 DOI: 10.1016/J.Ejmech.2015.03.059  0.5
2014 Nasief NN, Hangauer D. Additivity or cooperativity: which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule? European Journal of Medicinal Chemistry. 90: 897-915. PMID 25559080 DOI: 10.1016/J.Ejmech.2014.11.056  0.476
2014 Nasief NN, Hangauer D. Influence of neighboring groups on the thermodynamics of hydrophobic binding: an added complex facet to the hydrophobic effect. Journal of Medicinal Chemistry. 57: 2315-33. PMID 24479949 DOI: 10.1021/Jm401609A  0.475
2014 Kim S, Im S, Min A, Lee M, Jang H, Lee K, Kim H, Kim T, Han S, Oh D, Kim T, Yoon Y, Hangauer D, Lau J, Bang Y. Abstract 5479: Antitumor effect of KX-01, a novel Src and tubulin inhibitor, in triple negative breast cancer cells Cancer Research. 74: 5479-5479. DOI: 10.1158/1538-7445.Am2014-5479  0.301
2013 Naing A, Cohen R, Dy GK, Hong DS, Dyster L, Hangauer DG, Kwan R, Fetterly G, Kurzrock R, Adjei AA. A phase I trial of KX2-391, a novel non-ATP competitive substrate-pocket- directed SRC inhibitor, in patients with advanced malignancies. Investigational New Drugs. 31: 967-73. PMID 23361621 DOI: 10.1007/S10637-013-9929-8  0.488
2013 Biela A, Nasief NN, Betz M, Heine A, Hangauer D, Klebe G. Dissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysin. Angewandte Chemie (International Ed. in English). 52: 1822-8. PMID 23283700 DOI: 10.1002/Anie.201208561  0.404
2012 Nasief NN, Tan H, Kong J, Hangauer D. Water mediated ligand functional group cooperativity: the contribution of a methyl group to binding affinity is enhanced by a COO(-) group through changes in the structure and thermodynamics of the hydration waters of ligand-thermolysin complexes. Journal of Medicinal Chemistry. 55: 8283-302. PMID 22894131 DOI: 10.1021/Jm300472K  0.477
2012 Biela A, Khayat M, Tan H, Kong J, Heine A, Hangauer D, Klebe G. Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin. Journal of Molecular Biology. 418: 350-66. PMID 22366545 DOI: 10.1016/J.Jmb.2012.01.054  0.479
2011 Fallah-Tafti A, Foroumadi A, Tiwari R, Shirazi AN, Hangauer DG, Bu Y, Akbarzadeh T, Parang K, Shafiee A. Thiazolyl N-benzyl-substituted acetamide derivatives: synthesis, Src kinase inhibitory and anticancer activities. European Journal of Medicinal Chemistry. 46: 4853-8. PMID 21852023 DOI: 10.1016/J.Ejmech.2011.07.050  0.373
2011 Brandt T, Holzmann N, Muley L, Khayat M, Wegscheid-Gerlach C, Baum B, Heine A, Hangauer D, Klebe G. Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties. Journal of Molecular Biology. 405: 1170-87. PMID 21111747 DOI: 10.1016/J.Jmb.2010.11.038  0.744
2010 Englert L, Biela A, Zayed M, Heine A, Hangauer D, Klebe G. Displacement of disordered water molecules from hydrophobic pocket creates enthalpic signature: binding of phosphonamidate to the S₁'-pocket of thermolysin. Biochimica Et Biophysica Acta. 1800: 1192-202. PMID 20600625 DOI: 10.1016/j.bbagen.2010.06.009  0.438
2010 Baum B, Muley L, Smolinski M, Heine A, Hangauer D, Klebe G. Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. Journal of Molecular Biology. 397: 1042-54. PMID 20156458 DOI: 10.1016/J.Jmb.2010.02.007  0.742
2010 Muley L, Baum B, Smolinski M, Freindorf M, Heine A, Klebe G, Hangauer DG. Enhancement of hydrophobic interactions and hydrogen bond strength by cooperativity: synthesis, modeling, and molecular dynamics simulations of a congeneric series of thrombin inhibitors. Journal of Medicinal Chemistry. 53: 2126-35. PMID 20148533 DOI: 10.1021/Jm9016416  0.74
2010 Bu Y, Gao L, Hangauer D, Gelman IH. Abstract 2534: Suppression of prostate cancer growth by the Src signaling inhibitor, KXO1 (KX2-391) Cancer Research. 70: 2534-2534. DOI: 10.1158/1538-7445.Am10-2534  0.319
2010 Bu Y, Smolinski M, Qu J, Kazim L, Gelman I, Dyster L, Hangauer D. Abstract 2487: Mechanism of action KX01 (KX2-391), a novel tubulin polymerization and Src signaling inhibitor proceeding to Phase II clinical trials Cancer Research. 70: 2487-2487. DOI: 10.1158/1538-7445.Am10-2487  0.719
2009 Adjei AA, Cohen RB, Kurzrock R, Gordon GS, Hangauer D, Dyster L, Fetterly G, Barrientes S, Hong DS, Naing A. Results of a phase I trial of KX2-391, a novel non-ATP competitive substrate-pocket directed SRC inhibitor, in patients with advanced malignancies. Journal of Clinical Oncology : Official Journal of the American Society of Clinical Oncology. 27: 3511. PMID 27961307 DOI: 10.1200/Jco.2009.27.15_Suppl.3511  0.465
2009 Baum B, Muley L, Heine A, Smolinski M, Hangauer D, Klebe G. Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin. Journal of Molecular Biology. 391: 552-64. PMID 19520086 DOI: 10.1016/J.Jmb.2009.06.016  0.757
2009 Baum B, Mohamed M, Zayed M, Gerlach C, Heine A, Hangauer D, Klebe G. More than a simple lipophilic contact: a detailed thermodynamic analysis of nonbasic residues in the s1 pocket of thrombin. Journal of Molecular Biology. 390: 56-69. PMID 19409395 DOI: 10.1016/J.Jmb.2009.04.051  0.52
2007 Gerlach C, Smolinski M, Steuber H, Sotriffer CA, Heine A, Hangauer DG, Klebe G. Thermodynamic inhibition profile of a cyclopentyl and a cyclohexyl derivative towards thrombin: the same but for different reasons. Angewandte Chemie (International Ed. in English). 46: 8511-4. PMID 17902081 DOI: 10.1002/Anie.200701169  0.727
2007 Gerlach C, Smolinski M, Steuber H, Sotriffer C, Heine A, Hangauer D, Klebe G. Thermodynamisches Inhibitionsprofil eines Cyclopentyl- und eines Cyclohexylderivats gegenüber Thrombin: gleich, jedoch aus unterschiedlichem Grund Angewandte Chemie. 119: 8664-8667. DOI: 10.1002/Ange.200701169  0.674
2004 Ji T, Lee M, Pruitt SC, Hangauer DG. Privileged scaffolds for blocking protein-protein interactions: 1,4-disubstituted naphthalene antagonists of transcription factor complex HOX-PBX/DNA. Bioorganic & Medicinal Chemistry Letters. 14: 3875-9. PMID 15225688 DOI: 10.1016/J.Bmcl.2004.05.068  0.487
2000 Milkiewicz KL, Marsilje TH, Woodworth RP, Bifulco N, Hangauer MJ, Hangauer DG. The design, synthesis and activity of non-ATP competitive inhibitors of pp60(c-src) tyrosine kinase. Part 2: hydroxyindole derivatives. Bioorganic & Medicinal Chemistry Letters. 10: 483-6. PMID 10743953 DOI: 10.1016/S0960-894X(00)00040-8  0.765
2000 Marsilje TH, Milkiewicz KL, Hangauer DG. The design, synthesis and activity of non-ATP competitive inhibitors of pp60(c-src) tyrosine kinase. Part 1: hydroxynaphthalene derivatives. Bioorganic & Medicinal Chemistry Letters. 10: 477-81. PMID 10743952 DOI: 10.1016/S0960-894X(00)00039-1  0.778
1998 Lai JH, Marsilje TH, Choi S, Nair SA, Hangauer DG. The design, synthesis and activity of pentapeptide pp60c-src inhibitors containing L-phosphotyrosine mimics. The Journal of Peptide Research : Official Journal of the American Peptide Society. 51: 271-81. PMID 9560002 DOI: 10.1111/J.1399-3011.1998.Tb00424.X  0.709
1995 Nair SA, Kim MH, Warren SD, Choi S, Songyang Z, Cantley LC, Hangauer DG. Identification of efficient pentapeptide substrates for the tyrosine kinase pp60c-src Journal of Medicinal Chemistry. 38: 4276-4283. PMID 7473555 DOI: 10.1021/Jm00021A017  0.382
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