Quantitative structure-activity relationship of TIBO HIV-1 inhibitors

Jiegou Huaxue

Volumn 26, Issue 8, 2007, Pages 889-896

  Li, Xiao Hong ^a,b   Zhang, Rui Zhou ^a,b   Cheng, Xin Lu ^b   Yang, Xiang Dong ^b  

^a HENAN UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b SICHUAN UNIVERSITY   (China)

Author keywords

DFT; HCA; PCA; Structure activity relationship

Indexed keywords

EID: 34548595271     PISSN: 02545861     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (36)

1. Jacobo-Molina, A.; Arnold, E. Biochemistry 1991, 30, 6351-6361.
2. De Clercq, E. Med. Chem. Rev. 1996, 16, 125-157.
3. De Clercq, E. Clin. Microbiol. Rev. 1995, 8, 200-239.
4. De Clercq, E. Rev. Med. Virol. 1996, 6, 97-117.
5. Goff, S. P. J. Acq. Immun. Def. Synd. 1990, 3, 817-826.
6. Pauwels, R.; Andries, K.; Desmyter, J.; Schols, D.; Kukla, M. J.; Breslin, H. J.; Raeymaeckers, A.; Van Gelder, J.; Woestenborghs, R.; Heykants, J. Nature 1990, 343, 470-474.
7. Ho, W.; Kukla, M. J.; Breslin, H. J.; Ludovici, D. W.; Grass, P. P.; Diamond, C. J.; Miranda, M.; Rodgers, J. D.; Ho, C. Y.; De Clercq, E.; Pauwels, R.; Andries, K.; Janssen. M. A. C.; Janssen, P. A. J. J. Med. Chem. 1995, 38, 794-802.
8. Das, K.; Ding, J.; Hsiou, Y.; Clark, A. D.; Moreels, H.; Koymand, L.; Pauwels, R.; Janssen, P. A. J.; Boyer, P. L.; Clark, P; Smith, R. H.; Kroeger, S. M. B.; Michejda, C. J.; Hughes, S. H.; Arnold, E. J. Mol. Biol. 1996, 264, 1085-1100.
9. Xu X.; Luo Y.F.; Xu Z.G.; Li W.H.; Zhao J. Computers and Applied Chemistry 2002, 19, 405-408.
10. Smith, M. B.-K.; Lamb, M. L.; Tirado-Rives, J.; Jorgensen, W. L.; Michejda, C. J.; Ruby, S. K.; Smith, R. H. Jr. Protein Eng. Des. Sci. 2000, 13, 413-421.
11. Barreca, M. L.; Carotti, A.; Carrieri, A.; Chimirri, A.; Monforte, A. M.; Pellegrini, C. M. L.; Rao, A. Bioorg. Med. Chem. 1999, 7, 2283-2292.
12. Eriksson, M. A. L.; Pitera, J.; Kollman, P. A. J. Med. Chem. 1999, 42, 868-881.
13. Smith Jr, R. H.; Jorgensen, W. L.; Tirado-Rives, J.; Lamb, M. L.; Janssen, P. A. J.; Michejda, C. J.; Smith, M. B. K. J. Med. Chem. 1998, 41, 5272-5286.
14. Lawrence, D. S.; Zilfou, J. T.; Smith, C. D. J. Med. Chem. 1999, 42, 4932-4945.
15. Abi-Zeid, I.; Yang, Q.; Lamontagne, L. Lect. Notes Artif. Int. 1999, 1650, 258-269.
16. Khawaja, A. M.; Lui, Y. C.; Rogers, D. R Eur. J. Pharmacol. 1999, 3849(2-3), 173-181.
17. Amrhein, M.; Srinivasan, B.; Bonvin, D. Chemometrics and Intelligent Laboratory Systems 1996, 33, 17-33.
18. Frisch, M.; Truck, G. W. GUASSIAN 03, Revision 03, Gaussian, Inc.; Pittsburgh PA. USA 2003.
19. Parr, R. G; Yang, W. Density Functional Theory of Atoms and Molecules, Oxford, New York 1989.
20. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. B 1980, 37, 785-793.
21. Becke, A. D. Phys. Rev. A 1988, 38, 3098-3108.
22. Alves, C. N.; Pinheiro, J. C.; Camargo, A. J. J. Mol. Struct. (Theochem) 1999, 491, 123-131.
23. Cruciani, G; Baroni, M.; Bonelli, D.; Clementi, S.; Ebert, C.; Skagerberg, B. Quant. Struct.-Act. Relat. 1990, 9, 101-107.
24. Ford, M. G; Livingstone, D. J. Quant. Struct. Act. Relat. 1990, 9, 107-118.
25. Waterbeemd, H. V.; Tayar, N. E.; Corrupt, P. A. J. Comput. Aided Mol. Design 1989, 3, 111-120.
26. Lindon, J. C.; Holmes, E.; Nicholson, J. K. Prog. Nuc. Res. Spec. 2001, 39, 1-40.
27. Korolkovas, A. Fundamentos da Farmacologia Molecular, Guanabara Dois S. A.: Rio de Janeiro 1982.
28. Clare, B. W. Theor. Chim. Acta 1994, 87, 415-430.
29. Da Silva, A. B. F. M. Sc. Thesis, Universidade de São Paulo, Brazil 1985.
30. Ariens, E. J. Drug Design. Academic Press: New York 1971.
31. Kier, L. B. Molecular Orbital Studies in Chemical Pharmacology. Springer: Berlin 1970.
32. Burger, A. Medicinal Chemistry. Wiley-Interscience: New York 1970.
33. Honorio, K. M.; da Silva, A. B. F. Int. J. Quantum Chem. 2003, 95, 126-132.
34. Dunn, W. J. Ear. J. Med. Chem. 1977, 12, 109-118.
35. Montanari, M. L. C; Montanari, C. A.; Gaudio, A. C. Quim. Nova. 2002, 25, 231-240.
36. Waterbeemd, H. V.; Tayar, N. E.; Carrapt, P. A. J Comput. Aided Mol. Design 1989, 3, 111-120.