3D-QSAR studies on chromone derivatives as HIV-1 protease inhibitors

Journal of Molecular Structure

Volumn 689, Issue 1-2, 2004, Pages 99-106

  Ungwitayatorn, Jiraporn ^a   Samee, Weerasak ^b   Pimthon, Jutarat ^a  

^a MAHIDOL UNIVERSITY   (Thailand)

^b SRINAKHARINWIROT UNIVERSITY   (Thailand)

Author keywords

Chromone derivatives; Comparative molecular field analysis; Comparative molecular similarity indices analysis; HIV 1 protease

Indexed keywords

CHROMONE DERIVATIVE; PROTEINASE INHIBITOR;

ARTICLE; CALCULATION; COMPARATIVE MOLECULAR FIELD ANALYSIS; COMPARATIVE MOLECULAR SIMILARITY INDICES ANALYSIS; ELECTRIC ACTIVITY; HYDROGEN BOND; HYDROPHOBICITY; INTERMETHOD COMPARISON; PREDICTION; PROTEINASE INHIBITION; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 1542332782     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2003.10.036     Document Type: Article

References (33)

1. McQuadre T.J., Tomassalli A.G., Liv L. Science. 247:1990;454.
2. Nagy K., Young M., Baboonian C., Merson J., Whittle P., Oroszlan S. J. Virol. 64:1994;757.
3. Mulichack A.M., Hui J.O., Tomasselli A.G., Heinrikson R.L., Curry K.A., Tomich C.S., Thaisrivongs S., Sawyer T.K., Watenpaugh K.D. J. Biol. Chem. 268:1993;13103.
4. Dreger G.B., Lambert D.M., Meck T.D., Carr T.J., Tomaszek T.A., Fernandez A.V., Metcal B.W. Biochemistry. 31:1992;6646.
5. Thompson S.K., Murthy K.H., Zhao B., Winborne B., Green D.W., Fisher S.M., Des Jarlais R.L., Tomaszek T.A. Jr, Meek T.D., Gleason J.G., Abdel-Meguid S.S. J. Med. Chem. 37:1994;3100.
6. Nobel S., Faulds D. Drugs. 52:(1):1996;93.
7. Mealy N., Castaner J. Drugs Future. 31:(6):1996;600.
8. Lea A.P., Faulds D. Drugs. 52:(4):1996;541.
9. Rabasseda X., Martel A.M. Drugs Future. 22:(40):1997;371.
10. Adkim J.C., Faulds D. Drugs. 5:(6):1998;837.
11. The body: an AIDS and HIV Information Resource, Lopinavir fact sheet, available from:, [Accessed 2002 Nov 1].
12. Markowitz M., Saag M., Powderly W.G. N. Engl. J. Med. 333:1995;1534.
13. Vacca J.P., Dorsey B.D., Schleif W.A. J. Med. Chem. 39:1996;3203.
14. Lehr P., Billich A., Charpiot B., Ettmayer P., Scholz D., Rosenwirth B., Gstach H. J. Med. Chem. 39:1996;2060.
15. Dorsy B.D., Levin R.B., McDanial D.L., Vacca J.P., Guare J.P., Darke P.L., Zugay J.A., Emini E.A., Schleif W.A., Quintero J.C., Lin J.H., Chen W., Holloway M.K., Fitzgerald P.M.D., Axel M.G., Ostovic D., Anderson P.S., Hufl J.R. J. Med. Chem. 37:1994;3443.
16. De Lucca G.V., Liang J., De Lucca I. J. Med. Chem. 42:1999;135.
17. Schaal W., Karlsson A., Ahlsen G., Lindberg J., Andersson H.O., Danielson U.H., Classon B., Unge T., Samuelsson B., Hulten J., Hallberg A., Karlen A. J. Med. Chem. 44:(2):2001;155.
18. Maw H.H., Hall L.H. J. Chem. Inf. Comput. Sci. 42:(2):2002;290.
19. Kalra P., Reddy T.V., Jayaram B. J. Med. Chem. 44:2001;4325.
20. Huang X., Xu L., Luo X., Fan K., Ji R., Pei G., Chen K., Jiang H. J. Med. Chem. 45:2002;333.
21. Nair A.C., Jayatilleke P., Wang X., Miertus S., Welsh W.J. J. Med. Chem. 45:2002;973.
22. Thompson S.K., Murthy K.H.M., Zhao B., Winborne E., Green D.W., Fisher S.M., DesJarlais R.L., Tomaszek T.A. Jr., Meek T.D., Gleason J.G., Abdel-Meguid S.S. J. Med. Chem. 37:1994;3100.
23. Wang S., Milne G.W.A., Yan X., Posey I.J., Niklaus M.C., Graham L., Rice W.G. J. Med. Chem. 39:1996;2047.
24. Ungwitayatorn J., Wiwat C., Samee W. Thai J. Pharm. Sci. 24:(3-4):2000;155.
25. Cramer R.D. III, Patterson D.E., Bunce J.D. J. Am. Chem. Soc. 110:1988;5959.
26. Kubinyi H. available from [Accessed 2002 Nov 1]. 2003.
27. Klebe G., Abraham U., Mietzner T. J. Med. Chem. 34:1997;4130.
28. Doytchinova I.A., Flower D.R. J. Med. Chem. 44:2001;3572.
29. Buolamwini J.K., Assefa H. J. Med. Chem. 45:2002;841.
30. Protein data bank [Online]. Research collaboratory for structural bioinformatics (RCSB). May 1997, available from, [Accessed 2003 Feb 19].
31. Backbro K., Lowgren S., Osterlund K., Atepo J., Unge T., Hulten J., Bonham N.M., Schaal W., Karlen A., Hallberg A. J. Med. Chem. 40:1997;898.
32. Böhm M., Stürzebecher J., Klebe G. J. Med. Chem. 42:1992;458.
33. Ungwitayatorn J., Samee W. Mahidol Univ. J. Pharm. Sci. 29:2002;11.