Identification of fragments targeting an alternative pocket on HIV-1 gp41 by NMR screening and similarity searching

Bioorganic and Medicinal Chemistry Letters

Volumn 23, Issue 18, 2013, Pages 5114-5118

  Chu, Shidong ^a   Gochin, Miriam ^a,b  

^a Touro University California   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Fragment library; HIV 1 gp41; NMR; ROCS similarity searching; WaterLOGSY

Indexed keywords

GLYCOPROTEIN GP 41;

ARTICLE; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DRUG DEVELOPMENT; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; HYDROPHOBICITY; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; PROTEIN ANALYSIS; PROTEIN PROTEIN INTERACTION; VIRUS ENTRY;

HUMAN IMMUNODEFICIENCY VIRUS 1;

FRAGMENT LIBRARY; GLYCOPROTEIN-41; GP41; HIV-1; NMR; PARAMAGNETIC RELAXATION ENHANCEMENT; PRE; RAPID OVERLAY OF CHEMICAL STRUCTURES; ROCS; ROCS SIMILARITY SEARCHING; WATER-LIGAND OBSERVED VIA GRADIENT SPECTROSCOPY; WATERLOGSY;

DOSE-RESPONSE RELATIONSHIP, DRUG; HIV ENVELOPE PROTEIN GP41; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRAZOLES; REFERENCE STANDARDS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84882635398     PISSN: 0960894X     EISSN: 14643405     Source Type: Journal    
DOI: 10.1016/j.bmcl.2013.07.026     Document Type: Article

References (29)

1. D.M. Eckert, and P.S. Kim Annu. Rev. Biochem. 70 2001 777
2. L. Cai, and S. Jiang ChemMedChem 5 2010 1813
3. F. Naider, and J. Anglister Curr. Opin. Struct. Biol. 19 2009 473
4. D.C. Chan, C.T. Chutkowski, and P.S. Kim Proc. Natl. Acad. Sci. U.S.A 95 1998 15613
5. G. Zhou, D. Wu, E. Hermel, E. Balogh, and M. Gochin Bioorg. Med. Chem. Lett. 20 2010 1500
6. G. Zhou, D. Wu, B. Snyder, R.G. Ptak, H. Kaur, and M. Gochin J. Med. Chem. 54 2011 7220
7. M. Gochin, and G. Zhou Curr. Topics Med. Chem. 11 2011 3022
8. L.R. Whitby, K.E. Boyle, L. Cai, X. Yu, M. Gochin, and D.L. Boger Bioorg. Med. Chem. Lett. 22 2012 2861
9. Y. Wang, H. Lu, Q. Zhu, S. Jiang, and Y. Liao Bioorg. Med. Chem. Lett. 20 2010 189
10. M. Gochin Assay Drug Dev. Technol. 10 2012 407
11. M. Gochin, and L. Cai J. Med. Chem. 52 2009 4338
12. Y. He, J. Cheng, J. Li, Z. Qi, H. Lu, M. Dong, S. Jiang, and Q. Dai J. Virol. 82 2008 6349
13. H. Chong, X. Yao, Z. Qiu, B. Qin, R. Han, S. Waltersperger, M. Wang, S. Cui, and Y. He J. Biol. Chem. 287 2012 20281
14. J.F. Bower, and A. Pannifer Curr. Pharm. Des. 18 2012 4685
15. A. Winter, A.P. Higueruelo, M. Marsh, A. Sigurdardottir, W.R. Pitt, and T.L. Blundell Quart. Rev. Biophys. 45 2012 383
16. C. Dalvit, G. Fogliatto, A. Stewart, M. Veronesi, and B. Stockman J. Biomol. NMR 21 2001 349
17. E. Balogh, D. Wu, G. Zhou, and M. Gochin J. Am. Chem. Soc. 131 2009 2821
18. M. Gochin, G. Zhou, and A.H. Phillips ACS Chem. Biol. 6 2010 267
19. M. Caffrey Biochim. Biophys. Acta 1536 2001 116
20. M. Gochin, R.K. Guy, and M.A. Case Angew. Chem., Int. Ed. 42 2003 5325
21. M. Congreve, R. Carr, C. Murray, and H. Jhoti Drug Discovery Today 8 2003 876
22. A. Nicholls, and J.A. Grant J. Comput. Aided Mol. Des. 19 2005 661
23. P.C. Hawkins, A.G. Skillman, and A. Nicholls J. Med. Chem. 50 2007 74
24. A. Nicholls, N.E. MacCuish, and J.D. MacCuish J. Comput. Aided Mol. Des. 18 2004 451
25. L. Cai, and M. Gochin Antimicrob. Agents Chemother. 51 2007 2388
26. I. Solomon, and N. Bloembergen J. Chem. Phys. 25 1956 261
27. O. Trott, and A.J. Olson J. Comput. Chem. 31 2010 455
28. J.A. Wells, and C.L. McClendon Nature 450 2007 1001
29. L.N. Makley, and J.E. Gestwicki Chem. Biol. Drug Des. 81 2013 22