Molecular mechanics analysis of drug-resistant mutants of HIV protease

Protein Engineering

Volumn 12, Issue 6, 1999, Pages 469-474

  Weber, Irene T ^a   Harrison, Robert W ^a  

^a THOMAS JEFFERSON UNIVERSITY   (United States)

Author keywords

Drug resistance; HIV protease; Indinavir; Molecular mechanics; Saquinavir

Indexed keywords

INDINAVIR; MUTANT PROTEIN; PROTEINASE; SAQUINAVIR;

ARTICLE; COMPUTER MODEL; COMPUTER PROGRAM; DRUG PROTEIN BINDING; DRUG RESISTANCE; MOLECULAR BIOLOGY; MOLECULAR MODEL; PRIORITY JOURNAL;

HUMAN IMMUNODEFICIENCY VIRUS 1; RNA VIRUSES;

EID: 0033001019     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: 10.1093/protein/12.6.469     Document Type: Article

References (29)

1. Ala, P.J. et al. (1997) Biochemistry, 36, 1573-1580.
2. Baldwin, W.T., Bhat, T.N., Liu, B., Pattabiraman, N. and Erickson, J.W. (1995). Nature Struct. Biol., 2, 244-249.
3. Bernstein, F.C., Koetzle, T.F., Williams, G., Meyer, E.F., Brice, M.D., Rodgers, J.R., Kennard, O., Shimanouchi, T., Tasumi, M. (1977) J. Mol. Biol., 112, 535-542.
4. Boucher, C. (1996). AIDS 10 (Suppl 1), S15-S19.
5. Chen, Z., Li, Y., Chen, E., Hall, D.L., Darke, P.L., Culberson, C., Shafer, J.A. and Kuo, L.C. (1994) J. Biol. Chem., 269, 26344.
6. Condra, J.H. et al. (1995) Nature, 374, 569-571.
7. Darke, P.L. et al. (1988) Biochem. Biophys. Res. Commun., 156, 297-303.
8. DeBouck, C., Gomiak, J.G., Strickler, J.E., Meek, T.D., Metcalf, B.W. and Rosenberg, M. (1987) Proc. Natl Acad. Sci. USA, 84, 8903-8907.
9. Flores, T.P., Orengo, C.A., Moss, D.S. and Thornton, J.M. (1993) Protein Sci., 2, 1811-1826.
10. Gulnik, S.V., Suvorov, L.I., Liu, B., Yu, B. anderson, B., Mitsuya, H. and Erickson, J.W. (1995) Biochemistry, 34, 9282-9287.
11. Harrison, R.W. (1993) J. Comput. Chem., 14, 1112-1122.
12. Harrison, R.W. (1998) J. Comput. Chem., submitted.
13. Harrison, R.W. and Weber, I.T. (1994) Protein Engng, 7, 1353-1363.
14. Head, R.D., Smythe, M.L., Oprea, T.I., Waller, C.L., Green, S.M. and Marshall, G.R. (1996) J. Am. Chem. Soc., 118, 3959-3969.
15. Holloway, M.K. et al. (1995) J. Med. Chem., 38, 305-317.
16. Kageyama, S. et al. (1993) Antimicrob. Agents Chemother., 37, 810-817.
17. Krohn, A., Redshaw, S., Ritchie, J.C., Graves, B.J. and Hatada, M. (1991) J. Med. Chem., 34, 3340-3342.
18. Maschera, B., Darby, G., Palu, G., Wright, L.L., Tisdale, M., Myers, R., Blair, E.D. and Furfine, E.S. (1996) J. Biol. Chem., 271, 33231-33235.
19. Pazhanisamy, S., Stuver, C.M., Cullinan, A.B., Margolin, N., Rao, B.G. and Livingston, D.J. (1996) J. Biol. Chem., 271, 17979-17985.
20. Press, W.H., Teukolsky, S.A., Vettering, W.T. and Flannery, B.R. (1992) Numerical Recipes in C. 2nd edn. Cambridge University Press, Cambridge, pp. 636-639.
21. Rappe, A.K., Casewit, C.J., Colwell, K.S., Goddard, W.A., III and Skiff, W.M. (1992) J. Am. Chem. Soc., 114, 10024-10035.
22. Schinazi, R.F., Larder, B.A. and Mellors, J.W. (1997) Int. Antiviral News, 5, 129-142.
23. Wallace, P.R. (1984) Mathematical Analysis of Physical Problems. Dover, New York, pp. 180-181.
24. Weber, I.T. and Harrison, R.W. (1996) Protein Engng, 9, 679-690.
25. Weber, J.T. and Harrison, R.W. (1997) Protein Sci., 6, 2365-2374.
26. Weber, I.T. and Harrison, R.W. (1998) In Kubinyi, H., Folkers, G. and Martin, Y.C. (eds), 3D QSAR in Drug Design, Vol. 2. Kluwer Adademic, Dordrecht, pp. 115-127.
27. Wlodawer, A. and Erickson, J.W. (1993) Annu. Rev. Biochem., 62, 543-585.
28. Xu, L.Z., Weber, I.T., Harrison, R.W., Gidh-Jain, M. and Pilkis, S.J. (1995) Biochemistry, 34, 6083-6092.
29. Zegers, I., Maes, D., Dao-Thi, M.-H., Poortmans, F., Palmer, R. and Wyns, L. (1994) Protein Sci., 3, 2322-2339.