Novel anti-HIV cyclotriazadisulfonamide derivatives as modeled by ligand- and receptor-based approaches

Bioorganic and Medicinal Chemistry

Volumn 16, Issue 4, 2008, Pages 1683-1690

  Pinheiro, Júlia R ^a   Bitencourt, Michelle ^a   da Cunha, Elaine F F ^a   Ramalho, Teodorico C ^a   Freitas, Matheus P ^a  

^a FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

Author keywords

Anti HIV compounds; CD4 receptor; Docking studies; MIA QSAR

Indexed keywords

2 AMINO 6 ARYLSULFONYLBENZONITRILE; ANTI HUMAN IMMUNODEFICIENCY VIRUS AGENT; BENZENE; BENZONITRILE; CD4 ANTIGEN RECEPTOR; LYMPHOCYTE ANTIGEN RECEPTOR; SULFONAMIDE; UNCLASSIFIED DRUG;

ACQUIRED IMMUNE DEFICIENCY SYNDROME; ANTIVIRAL ACTIVITY; ARTICLE; BINDING AFFINITY; CALIBRATION; LIGAND BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS;

ANTI-HIV AGENTS; ANTIGENS, CD4; COMPUTER SIMULATION; DRUG DESIGN; HUMANS; LIGANDS; MODELS, MOLECULAR; NEURAL NETWORKS (COMPUTER); NITRILES; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SULFONAMIDES;

EID: 38949193532     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bmc.2007.11.020     Document Type: Article

References (31)

1. 2006 AIDS Epidemic Update ().
2. Garg R., Gupta S.P., Gao H., Babu M.S., Debnath A.K., and Hansch C. Chem. Rev. 99 (1999) 3525
3. Leonard J.T., and Roy K. QSAR Comb. Sci. 23 (2004) 23
4. Roy K., and Leonard J.T. Bioorg. Med. Chem. 12 (2004) 745
5. Kempf D.J., Sham H.L., Marsh K.C., Flentge C.A., Betebenner D., Green B.E., McDonald E., Vasavanonda S., Saldivar A., Wideburg N.E., Kati W.M., Ruiz L., Zhao C., Fino L., Patterson J., Molla A., Plattner J.J., and Norbeck D.W. J. Med. Chem. 41 (1998) 602
6. Free S.M., and Wilson J.W. J. Med. Chem. 7 (1964) 395
7. Hansch C., and Fujita T. J. Am. Chem. Soc. 86 (1963) 1616
8. Todeschini R., and Consonni V. In: Mannhold R., Kubinyi H., and Timmerman H. (Eds). Handbook of Molecular Descriptors. Methods and Principles in Medicinal Chemistry (2000), Wiley-VCH 667
9. Cramer III R.D., Patterson D.E., and Bunce J.D. J. Am. Chem. Soc. 110 (1988) 5959
10. Klebe G., Abraham U., and Mietzner T. J. Med. Chem. 37 (1994) 4130
11. Goodford P.J. GRID (1995), University of Oxford, Oxford, UK
12. Hopfinger A.J., Wang S., Tokarski J.S., Jin B., Albuquerque M., Madhav P.J., and Duraiswami C. J. Am. Chem. Soc. 119 (1997) 10509
13. Vedani A., and Dobler M. J. Med. Chem. 45 (2002) 2139
14. Vedani A., Dobler M., and Lill M.A. J. Med. Chem. 48 (2005) 3700
15. Freitas M.P., Brown S.D., and Martins J.A. J. Mol. Struct. 738 (2005) 149
16. Freitas M.P. Org. Biomol. Chem. 4 (2006) 1154
17. da Cunha E.F.F., Ramalho T.C., de Alencastro R.B., and Taft C.A. Lett. Drug Des. Discov. 3 (2006) 17
18. Vermeire K., Bell T.W., Choi H.J., Jin Q., Samala M.F., Sodoma A., De Clercq E., and Schols D. Mol. Pharmacol. 63 (2003) 203
19. Bell T.W., Anugu S., Mailey P., Catalano V.J., Dey K., Drew M.G.B., Duffy N.H., Jin Q., Samala M.F., Sodoma A., Welch W.H., Schols D., and Vermeire K. J. Med. Chem. 49 (2006) 1291
20. ChemDraw Ultra 7.0, CambridgeSoft, Cambridge, MA, 1985-2001.
21. Matlab Version 6.5.1, MathWorks Inc., Natick, MA, 1993.
22. Wold H. In: Krishnaiah K.R. (Ed). Multivariate Analysis (1966), Academic Press, New York 391-420
23. SpartanPro 1.0.1, Wavefunction, Irvine, CA, 2001.
24. Dewar M.J.S., Zoebisch E.G., Healy E.F., and Stewart J.J.P. J. Am. Chem. Soc. 107 (1985) 3902
25. Kwong P.D., Wyatt R., Majeed S., Robinson J., Sweet W.R., Sodroski J., and Hendrickson W.A. Struct. Fold. Des. 8 (2000) 1329
26. Thomsen R., and Christensen M.H. J. Med. Chem. 49 (2006) 3315
27. Gehlhaar D.K., Verkhiver G.M., Reijto P.A., Sherman C.J., Fogel D.B., Fogel L.J., and Freer S.T. Chem. Biol. 2 (1995) 317
28. Geladi P., and Esbensen K. J. Chemom. 3 (1989) 419
29. Golbraikh A., and Tropsha A. J. Mol. Graph. Model. 20 (2002) 269
30. Roy P.P., and Roy K. QSAR Comb. Sci. (2007) 10.1002/qsar.200710043
31. da Cunha E.F.F., Ramalho T.C., de Alencastro R.B., and Maia E.R. J. Biomol. Struct. Dyn. 22 (2004) 119