In silico structure-based design of a potent, mutation resilient, small peptide inhibitor of hiv-1 reverse transcriptase

Journal of Biomolecular Structure and Dynamics

Volumn 21, Issue 2, 2003, Pages 171-178

  Rao, Gita Subba ^a   Bhatnagar, Sonika ^b  

^a ALL INDIA INSTITUTE OF MEDICAL SCIENCES   (India)

^b NETAJI SUBHAS INSTITUTE OF TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ASPARTIC ACID; CAPRAVIRINE; EFAVIRENZ; N [4 CHLORO 3 (3 METHYL 2 BUTENYLOXY)PHENYL] 2 METHYL 3 FURANCARBOTHIOAMIDE; NEVIRAPINE; NUCLEOSIDE DERIVATIVE; NUCLEOSIDE DERIVATIVE INHIBITOR; QUINOXALINE; RNA; RNA DIRECTED DNA POLYMERASE INHIBITOR; SINGLE STRANDED DNA; TYROSINE; UNCLASSIFIED DRUG;

ALLOSTERISM; ARTICLE; CATALYSIS; COMPUTER MODEL; CRYSTAL STRUCTURE; DNA SYNTHESIS; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; POINT MUTATION; PRIORITY JOURNAL; VIRUS REPLICATION;

ANTI-HIV AGENTS; COMPUTER SIMULATION; DRUG DESIGN; HIV-1 REVERSE TRANSCRIPTASE; HYDROGEN BONDING; LIGANDS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MUTATION; PEPTIDES; PROTEIN CONFORMATION; REVERSE TRANSCRIPTASE INHIBITORS; STRUCTURE-ACTIVITY RELATIONSHIP;

HUMAN IMMUNODEFICIENCY VIRUS; HUMAN IMMUNODEFICIENCY VIRUS 1; RNA VIRUSES;

EID: 0141566459     PISSN: 07391102     EISSN: 15380254     Source Type: Journal    
DOI: 10.1080/07391102.2003.10506915     Document Type: Article

References (25)

1. De Clerq, E., 1994. Biochem. Pharmacol., 47:155–169.
2. Esnouf, R., Ren, J., Ross, C., Jones, Y., Stammers, D., and Stuart, D., 1995. Nature Struct. Biol., 2:303–308.
3. Spence, R. A., Kati, W. M., Anderson, K. S., and Johnson, K. A., 1995. Science, 267:988–993.
4. Ho, D. D., Neumann, A. U., Perelson, A. S., Chen, W., Leonard, J. M., and Markowitz, M., 1995. Nature, 373:123–126.
5. Richman, D., Shih, C.-K., Lowy, I., Rose, J., Prodanovich, P., Goff, S., and Griffin, J. C., 1991. Proc. Natl. Acad. Sci. USA, 88:11241–11245.
6. Schinazi, R. F., Larder, B. A., and Mellors, J. W., 1997. Int. Antiviral News, 5:129–135.
7. Young, S. D., Britcher, S. F., Tran, L. O., Payne, L. S., Lumma, W. C., Lyle, T. A., Huff, J. R., Anderson, P. S., Olsen, D. B., Carroll, S. S., Pettibone, D. J., Brien, J. A.O., Ball, R. G., Balani, S. K., Lin, J. H., Chen, I.-W., Schleif, W. A., Sardana, V. V., Long, W. J., Byrnes, V. W., and Emini, E. A., 1995. Antimicrob. Agents Chemother., 39:2602–2605.
8. Balzarini, J., Brouwer, W. G., Felauer, E. E., De Clerq, E., and Karlson, A., 1995. Antiviral Res., 27:219–236.
9. Kleini, J.-P., Bender, R., Billhardt, U.-M., Meichsner, C., Riess, G., Rosner, M., Winkler, I., and Paessens, A., 1993. Antimicrob. Agents Chemother., 37:1659–1664.
10. Kohlstaedt, L. A., Wang, J., Friedman, J. M., Rice, P. A., and Steitz, T. A., 1992. Science, 256:1783–1790.
11. Ren, J., Esnouf, R., Garman, E., Somers, D., Ross, C., Kirby, I., Keeling, J., Darby, G., Jones, Y., Stuart, D. I., and Stammers, D. K., 1995. Nat. Struct. Biol., 2:293–302.
12. Ren, J., Esnouf, R., Hopkins, A., Ross, C., Jones, Y., Stammers, D. I., and Stuart, D. K., 1995. Structure., 3:915–926.
13. Ding, J., Das, K., Moreels, H., Koymans, L., Andries, K., Janssen, P. A. J., Hughes, S. H., and Arnold, E., 1995. Nat. Struct. Biol., 2:407–415.
14. Hopkins, A. L., Ren, J., Esnouf, R. M., Wilcox, B. E., Jones, E. Y., Ross, C., Miyasaka, T., Walker, R. T., Tanaka, H., Stammers, D. K., and Stuart, D. I., 1996. J. Med. Chem., 39:1589–1600.
15. Esnouf, R. M., Ren, J., Hopkins, A. L., Ross, C. K., Jones, E. Y., Stammers, D. K., and Stuart, D. I., 1997. Proc. Natl. Acad. Sci. USA, 94:3984–3989.
16. Ren, J., Esnouf, R. M., Hopkins, A. L., Stuart, D. I., and Stammers, D. K., 1999. J. Med. Chem., 42:3845–3851.
17. Ren, J., Diprose, I., Warren, J., Esnouf, R. M., Bird, L. E., Ikemizu, S., Slater, M., Milton, J., Balzarini, J., Stuart, D. I., and Stammers, D. K., 2000. J. Biol. Chem., 275:5633–5639.
18. Ren, J., Esnouf, R. M., Hopkins, A. L., Warren, J., Balzarini, J., Stuart, D. I., and Stammers, D. K., 1998. Biochemistry, 37:14394–14403.
19. Ren, J., Nichols, C. E., Bird, L. E., Fujiwara, T., Sugimoto, H., Stuart, D. I., and Stammers, D. K., 2000. J. Biol. Chem., 275:14316–14320.
20. Ren, J., Nichols, C., Bird, L., Chamberlain, P., Weaver, K., Short, S., Stuart, D. I., and Stammers, D. K., 2001. J. Mol. Biol., 312:795–805.
21. Berman, H. M., Westbrook, J., Feng, Z., Gilliland, G., Bhat, T. N., Weissig, H., Shindyalov, I. M., and Bourne, P. E., 2000. Nucl. Acids Res., 20:235–242.
22. Morris, G. M., Goodsell, D. S., Halliday, R. S., Huey, R., Hart, W. E., Beleu, R. K., and Olson, A. J., 1998. J. Comput. Chem., 19:1639–1662.
23. Sotriffer, C. A., Ni, H., and McCammon, J. A., 2000. J. Med. Chem., 43:4109–4117.
24. van der Spoel, D., and Berendsen, H. J.C., 1997. Biophys. J., 72:2032–2041.
25. Ren, J., Milton, J., Weaver, K. L., Short, S. A., Stuart, D. I., and Stammers, D. K., 2000. Struct. Fold. Des., 8:1089–1094.