Identification of HIV-1 integrase inhibitors via three-dimensional database searching using ASV and HIV-1 integrases as targets

Bioorganic and Medicinal Chemistry

Volumn 8, Issue 10, 2000, Pages 2385-2398

  Chen, I Jen ^a   Neamati, Nouri ^b   Nicklaus, Marc C ^b   Orr, Ann ^b   Anderson, Lynne ^b   Barchi Jr , Joseph J ^b   Kelley, James A ^b   Pommier, Yves ^b   MacKerell Jr , Alexander D ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^b NATIONAL CANCER INSTITUTE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIVIRUS AGENT; INTEGRASE; VIRUS DNA;

ANTIVIRAL ACTIVITY; DATA BASE; DNA INTEGRATION; DNA STRAND; DRUG CONFORMATION; DRUG SCREENING; HUMAN; HUMAN CELL; HUMAN IMMUNODEFICIENCY VIRUS 1; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; REVIEW; STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; VIRUS REPLICATION;

EID: 0033821651     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-0896(00)00180-2     Document Type: Article

References (64)

1. Perrin L., Telenti A. Science. 280:1998;1871.
2. Tantillo C., Ding J., Jacobo-Molina A., Nanni R.G., Boyer P.L., Hughes S.H. J. Mol. Biol. 243:1994;369.
3. Boyer P.L., Tantillo C., Jacobo-Molina A., Nanni R.G., Ding J., Arnold E. Proc. Natl. Acad. Sci. USA. 91:1994;4882.
4. Erickson, J. W.; Baldwin, E. T.; Bhat, T. N.; Gulnik, S.; Leu, B.; B., Y. Third International Workshop on HIV Drug Resistance, 1994, Abstract 2.
5. Condra J.H., Schleif W.A., Blahy O.M., Gabryelski L.J., Graham D.J., Quintero J.C., Rhodes A., Robbins H.L., Roth E., Shivaprakash M., Titus P.L., Yang Y., Emini E.A. Nature. 374:1995;569.
6. Egger M., Hirschel B., Francioli P.P.S., Wirz M., Flepp M., Rickenbach M., Malinverni R., Vernazza P., Battegay M. Br. Med. J. 315:1997;1194.
7. Palella F.J.J., Delaney K.M., Moorman A.C., Loveless M.O., Fuhrer J., Satten G.A., Aschman D.J., Holmberg S.D.N. Engl. J. Med. 338:1998;853.
8. Wong J.K., Hezareh M., Gunthard H.F., Havlir D.V., Ignacio C.C., Spina C.A., Richman D.D. Science. 278:1997;1291.
9. Katz R.A., Skalka A.M. Annu. Rev. Biochem. 63:1994;133.
10. Craigie R., Fujiwara T., Bushman F. Cell. 62:1990;829.
11. Katz R.A., Merkel G., Kulkosky J., Leis J., Salka A.M. Cell. 63:1990;87.
12. Engelman A., Mizuuchi K., Craigie R. Cell. 67:1991;1211.
13. Vink C., van Gent D.C., Elgersma Y., Plasterk R.H. J. Virol. 65:1991;4636.
14. Brown P.O., Bowerman B., Varmus H.E., Bishop J.M. Cell. 49:1987;347.
15. Goff S.P. Annu. Rev. Genet. 26:1992;527.
16. Engelman A., England G., Orenstein J.M., Martin M.A., Craigie R. J. Virol. 69:1995;2729.
17. Pommier Y., Pilon A.A., Bajaj K., Mazumder A., Neamati N. Antiviral Chem. Chemother. 8:1997;463.
18. Neamati N., Sunder S., Pommier Y. Drug Discov. Today. 2:1997;487.
19. Cushman M., Sherman P. Biochem. Biophys. Res. Commun. 185:1992;85.
20. Fesen M.R., Kohn K.W., Leteurtre F., Pommier Y. Proc. Natl. Acad. Sci. USA. 90:1993;2399.
21. Mazumder A., Neamati N., Sommadossi J.P., Gosselin G., Schinazi R.F., Imbach J.L., Pommier Y. Mol. Pharmacol. 49:1996;621.
22. Zhao H., Neamati N., Hong H.A.M., Wang S., Sunder S., Milne G.W., Pommier Y., Burke T.R. Jr. J. Med. Chem. 40:1997;242.
23. Lin Z., Neamati N., Zhao H., Kirsu Y., Turpin J.A., Aberham C., Strbel K., Kohn K., Witvrouw M., Pannecouque C., Debyser Z., De Clercq E., Rice W.G., Pommier Y., Burke T.R. Jr. J. Med. Chem. 42:1999;1401.
24. Nicklaus M.C., Neamati N., Hong H., Mazumder A., Sunder A., Chen J., Milne G.W.A., Pommier Y. J. Med. Chem. 40:1997;920.
25. Neamati N., Hong H.S.S., Milne G.W., Pommier Y. Mol. Pharmacol. 52:1997;1041.
26. Hong H., Neamati N., Winslow H.E., Christensen J.L., Orr A., Pommier Y., Milne G.W. Antivir. Chem. Chemother. 9:1998;461.
27. Hazuda D.J., Felock P., Witmer M., Wolfe A., Stillmock K., Grobler J.A., Espeseth A., Gabryelski L., Schleif W., Blau C., Miller M.D. Science. 287:2000;646.
28. Goldgur Y., Craigie R., Cohen G.H., Fujiwara T., Yoshinaga T., Fujishita T., Sugimoto H., Endo T., Murai H., Davies D.R. Proc. Natl. Acad. Sci. USA. 96:1999;13040.
29. Milne G.W.A., Nicklaus M.C., Driscoll J.S., Wang S. J. Chem. Inf. Comput. Sci. 34:1994;1219.
30. Lubkowski J., Yang F., Alexandratos J., Wlodawer A., Zhao H., Burke T.R., Neamati N., Pommier Y., Merkel G., Skalka A.M. Proc. Natl. Aacd. Sci. USA. 95:1998;4831.
31. Bujacz G., Jaskkolski M., Alexandratos J., Wlodawer A., Merkel G., Katz R.A., Skalka A.M. J. Mol. Biol. 253:1995;333.
32. Goldgur Y., Dyda F., Kickman A.B., Jenkins T.M., Craigie R., Davies D.R. Proc. Natl. Acad. Sci. USA. 95:1998;9150.
33. Heuer T.S., Brown P.O. Biochemistry. 36:1997;10655.
34. Esposito D., Craigie R. EMBO J. 17:1998;5832.
35. Martin Y.C. J. Med. Chem. 35:1992;2145.
36. DesJarlais, R. L. In Structure-based Drug Design; Veerapandian, P., Ed.; Marcel Dekker: 1997; p 73.
37. Corwin, C.; Kuntz, I. D. In Designing Bioactive Molecules: Three-dimensional techniques and applications; Martin, Y. C., Willet, P., Heller, S. R., Ed.; American Chemical Society: Washington, DC, 1998; p 1.
38. Kuntz I.D., Blaney J.M., Oatley S.J., Langridge R., Ferrin T.E. J. Mol. Biol. 161:1982;269.
39. Kuntz I.D., Meng E.C., Schoichet B.K. Acc. Chem. Res. 27:1994;117.
40. DesJarlais R.L., Sheridan R.P., Seibel G.L., Dixon J.S., Kuntz I.D., Venkataraghaven R. J. Med. Chem. 31:1988;722.
41. Goodford P.J. J. Med. Chem. 28:1984;849.
42. Meng E.C., Shoichet B.K., Kuntz I.D. J. Comput. Chem. 13:1992;505.
43. Ewing T.J.A., Kuntz I.D. J. Comput. Chem. 18:1997;1175.
44. DesJarlais R.L., Sheridan R.P., Dixon J.S., Kuntz I.D., Venkataraghaven R. J. Med. Chem. 29:1986;2149.
45. DesJarlais R.L., Seibel G.L., Kuntz I.D., Oritiz de Montellano P., Furth P.S., Alvarez J.C., DeCamp D.L., Babe L.M., Craik C.S. Proc. Natl. Acad. Sci. USA. 87:1990;6644.
46. Rutenber E., Fauman E.B., Keenan R.J., Fong S., Furth P.S., Ortiz de Montellano P.R., Meng E., Kuntz I.D., DeCamp D.L., Salto R. J. Biol. Chem. 268:1993;15343.
47. Shoichet B.K., Stroud R.M., Santi D.V., Kuntz I.D., Perry K.M. Science. 259:1993;1445.
48. Bodian D.L., Yamasaki R.B., Buswell R.L., Stearns J.F., White J.M., Kuntz I.D. Biochemistry. 32:1993;2967.
49. Ring C.S., Sun E., McKerrow J.H., Lee G.K., Rosenthal P.J., Kuntz I.D., Cohen F.E. Proc. Natl. Acad. Sci. USA. 90:1993;3583.
50. Jenkins T.M., Esposito D., Engelman A., Craigie R. EMBO J. 16:1997;6849.
51. Dyda F., Hickman A.B., Jenkins T.M., Engelman A., Craigie R., Davies D.R. Science. 266:1994;1981.
52. Bujacz G., Alexandratos J., Qing Z., Clement-Mella C., Wlodawer A. FEBS Lett. 398:1996;175.
53. Maignan S., Guilloteau J., Qing Z., Clement-Mella C., Mikol V. J. Mol. Biol. 282:1998;359.
54. Zhao H., Neamati N., Mazumder A., Sunder S., Pommier Y., Burke T.R.J. J. Med. Chem. 40:1997;1186.
55. Hong H., Neamati N., Wang S., Nicklaus M., Mazumder A., Zhao H., Burke T.R.J., Pommier Y., Milne G. J. Med. Chem. 40:1997;930.
56. Zhao H., Neamati N., Sunder S., Hong H., Wang S., Milne G., Pommier Y., Burke T.R.J. J. Med. Chem. 40:1997;937.
57. Buckingham, A. D. In Principles of Molecular Recognition, 1st ed.; Buckingham, A. D., Legon, A. C., Roberts, S. M., Eds.; Blackie Academic & Professional: London, New York, 1993, p 1.
58. Jones S., Thornton J.M. Proc. Natl. Acad. Sci. USA. 93:1996;13.
59. Bernstein F.C., Koetzle T.F., Williams G.J.B., Meyer E.F. Jr., Brice M.D., Rodgers J.R., Kennard O., Shimanouchi T., Tasumi M. J. Mol. Biol. 112:1977;535.
60. Wang S., Zaharevitz D., Sharma R., Marquez V.E., Lewin N.E., Du L., Blumberg P.M., Milne G.W.A. J. Med. Chem. 37:1994;4479.
61. SYBYL; Tripos Associates: St. Louis, MO 63144.
62. Connolly M.L. Science. 221:1983;709.
63. Leach A.R., Kuntz I.D. J. Comput. Chem. 13:1992;730.
64. Weislow O.W., Kiser R., Fine D., Bader J., Shoemaker R.H., Boyd M.R. J. Natl. Cancer Inst. 81:1989;577.