Mining the NCI antiviral compounds for HIV-1 integrase inhibitors

Bioorganic and Medicinal Chemistry

Volumn 14, Issue 11, 2006, Pages 3785-3792

  Deng, Jinxia ^a   Kelley, James A ^b   Barchi, Joseph J ^b   Sanchez, Tino ^a   Dayam, Raveendra ^a   Pommier, Yves ^c   Neamati, Nouri ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b NATIONAL CANCER INSTITUTE   (United States)

^c NATIONAL CANCER INSTITUTE   (United States)

Author keywords

Antiviral activity; Docking; Drug design; HIV integrase inhibitor; NCI database

Indexed keywords

AMINO ACID; ANTIVIRUS AGENT; CHALCONE; INTEGRASE INHIBITOR; MAGNESIUM ION;

ARTICLE; BINDING AFFINITY; BINDING SITE; CHEMICAL BOND; CONTROLLED STUDY; DRUG POTENCY; HEALTH CARE ORGANIZATION; HUMAN; HUMAN CELL; HUMAN IMMUNODEFICIENCY VIRUS 1; IC 50; MATHEMATICAL MODEL; NONHUMAN; PROTEIN MOTIF; TRAINING;

ANTI-HIV AGENTS; BINDING SITES; CATALYSIS; CELL LINE; CELLS, CULTURED; COMPUTER SIMULATION; DATABASES, FACTUAL; DRUG DESIGN; ENZYME ACTIVATION; HIV INTEGRASE; HIV INTEGRASE INHIBITORS; HIV-1; HUMANS; MICROBIAL SENSITIVITY TESTS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; MOLECULAR WEIGHT; NATIONAL INSTITUTES OF HEALTH (U.S.); PROTEIN CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP; UNITED STATES;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 33646059863     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2006.01.040     Document Type: Article

References (50)

1. De Clercq E. Nat. Rev. Drug. Discovery 1 (2002) 13-25
2. Imamichi T. Curr. Pharm. Des. 10 (2004) 4039-4053
3. Richman D.D. Nature 410 (2001) 995-1001
4. Dayam R., and Neamati N. Biochemistry of HIV Therapeutics. Encyclopedia of Molecular Cell Biology and Molecular Medicine (2004), Wiley-VCH, Weinheim, Germany pp 155-178
5. Barbaro G., Scozzafava A., Mastrolorenzo A., and Supuran C.T. Curr. Pharm. Des. 11 (2005) 1805-1843
6. Schiller D.S. Am. J. Health Syst. Pharm. 61 (2004) 2507-2522
7. Hertogs K., Bloor S., Kemp S.D., Van den Eynde C., Alcorn T.M., Pauwels R., Van Houtte M., Staszewski S., Miller V., and Larder B.A. AIDS 14 (2000) 1203-1210
8. Shirasaka T., Kavlick M.F., Ueno T., Gao W.Y., Kojima E., Alcaide M.L., Chokekijchai S., Roy B.M., Arnold E., Yarchoan R., et al. Proc. Natl. Acad. Sci. U.S.A. 92 (1995) 2398-2402
9. Blower S.M., Aschenbach A.N., Gershengorn H.B., and Kahn J.O. Nat. Med. 7 (2001) 1016-1020
10. Turpin J.A. Expert Rev. Anti. Infect. Ther. 1 (2003) 97-128
11. De Clercq E. Int. J. Biochem. Cell Biol. 36 (2004) 1800-1822
12. Engelman A., Mizuuchi K., and Craigie R. Cell 67 (1991) 1211-1221
13. Schroder A.R., Shinn P., Chen H., Berry C., Ecker J.R., and Bushman F. Cell 110 (2002) 521-529
14. Brown P.O. Integration. In: Coffin J.C., Hughes S.H., and Varmus H.E. (Eds). Retroviruses (1999), Cold Spring Harbor Press
15. Asante-Appiah E., and Skalka A.M. Adv. Virus Res. 52 (1999) 351-369
16. Bushman F.D., and Craigie R. Proc. Natl. Acad. Sci. U.S.A. 88 (1991) 1339-1343
17. Neamati N. Expert Opin. Invest. Drugs 10 (2001) 281-296
18. Chiu T.K., and Davies D.R. Curr. Top. Med. Chem. 4 (2004) 965-977
19. Yoshinaga, T.; Sato, A.; Fujishita, T.; Fujiwara, T. In vitro activity of a new HIV-1 integrase inhibitor in clinical development. 9th Conference on retroviruses and opportunistic infections. Seattle; 2002.
20. Young, S. L-870,810: A potent antiviral HIV integrase inhibitor with potential clinical unitily. XIV International AIDS conference. West Point, PA, USA; 2002.
21. Pommier Y., Johnson A.A., and Marchand C. Nat. Rev. Drug. Discov. 4 (2005) 236-248
22. Witvrouw M., Van Maele B., Vercammen J., Hantson A., Engelborghs Y., De Clercq E., Pannecouque C., and Debyser Z. Curr. Drug. Metab. 5 (2004) 291-304
23. Anthony N.J. Curr. Top. Med. Chem. 4 (2004) 979-990
24. Nair V. Curr. Pharm. Des. 9 (2003) 2553-2565
25. Dayam R., and Neamati N. Curr. Pharm. Des. 9 (2003) 1789-1802
26. Neamati N. Expert Opin. Ther. Patent 12 (2002) 709-724
27. Johnson A.A., Marchand C., and Pommier Y. Curr. Top. Med. Chem. 4 (2004) 1059-1077
28. Billich A. Curr. Opin. Investig. Drugs 4 (2003) 206-209
29. Hazuda D.J., Felock P., Witmer M., Wolfe A., Stillmock K., Grobler J.A., Espeseth A., Gabryelski L., Schleif W., Blau C., and Miller M.D. Science 287 (2000) 646-650
30. Neamati N., Hong H., Mazumder A., Wang S., Sunder S., Nicklaus M.C., Milne G.W., Proksa B., and Pommier Y. J. Med. Chem. 40 (1997) 942-951
31. Neamati N., Mazumder A., Sunder S., Owen J.M., Schultz R.J., and Pommier Y. Antimicrob. Agents Chemother. 8 (1997) 485-495
32. Milne G.W., Nicklaus M.C., Driscoll J.S., Wang S., and Zaharevitz D. J. Chem. Inf. Comput. Sci. 34 (1994) 1219-1224
33. Voigt J.H., Bienfait B., Wang S., and Nicklaus M.C. J. Chem. Inf. Comput. Sci. 41 (2001) 702-712
34. Chen I.J., Neamati N., Nicklaus M.C., Orr A., Anderson L., Barchi Jr. J.J., Kelley J.A., Pommier Y., and MacKerell Jr. A.D. Bioorg. Med. Chem. 8 (2000) 2385-2398
35. Kelley, J. A.; Lai, C. C.; Barchi, J. J.; Nicklaus, M. C.; Voigt, J. H.; Anderson, L.; Malinowski, N. M.; Neamati, N. Targeted analytical evaluation of a large small molecule chemical database. Proc 50th ASMS Conf. Mass Spectr. Allied Topics, Orlando, FL, 2002.
36. Du J., He Z.D., Jiang R.W., Ye W.C., Xu H.X., and But P.P. Phytochemistry 62 (2003) 1235-1238
37. Dimmock J.R., Elias D.W., Beazely M.A., and Kandepu N.M. Curr. Med. Chem. 6 (1999) 1125-1149
38. Lawrence N.J., Rennison D., McGown A.T., Ducki S., Gul L.A., Hadfield J.A., and Khan N. J. Comb. Chem. 3 (2001) 421-426
39. Kumar S.K., Hager E., Pettit C., Gurulingappa H., Davidson N.E., and Khan S.R. J. Med. Chem. 46 (2003) 2813-2815
40. Gerton J.L., Ohgi S., Olsen M., DeRisi J., and Brown P.O. J. Virol. 72 (1998) 5046-5055
41. Tsurutani N., Kubo M., Maeda Y., Ohashi T., Yamamoto N., Kannagi M., and Masuda T. J. Virol. 74 (2000) 4795-4806
42. van Gent D.C., Groeneger A.A., and Plasterk R.H. Proc. Natl. Acad. Sci. U.S.A. 89 (1992) 9598-9602
43. Jones G., Willett P., Glen R.C., Leach A.R., and Taylor R. J. Mol. Biol. 267 (1997) 727-748
44. Long Y.Q., Jiang X.H., Dayam R., Sanchez T., Shoemaker R., Sei S., and Neamati N. J. Med. Chem. 47 (2004) 2561-2573
45. Goldgur Y., Craigie R., Cohen G.H., Fujiwara T., Yoshinaga T., Fujishita T., Sugimoto H., Endo T., Murai H., and Davies D.R. Proc. Natl. Acad. Sci. U.S.A. 96 (1999) 13040-13043
46. Goldgur Y., Dyda F., Hickman A.B., Jenkins T.M., Craigie R., and Davies D.R. Proc. Natl. Acad. Sci. U.S.A. 95 (1998) 9150-9154
47. Barreca M.L., Lee K.W., Chimirri A., and Briggs J.M. Biophys. J. 84 (2003) 1450-1463
48. Lee M.C., Deng J., Briggs J.M., and Duan Y. Biophys. J. 88 (2005) 3133-3146
49. Weislow O.S., Kiser R., Fine D.L., Bader J., Shoemaker R.H., and Boyd M.R. J. Natl. Cancer Inst. 81 (1989) 577-586
50. Wallace A.C., Laskowski R.A., and Thornton J.M. Protein Eng. 8 (1995) 127-134