MIA-QSAR coupled to principal component analysis-adaptive neuro-fuzzy inference systems (PCA-ANFIS) for the modeling of the anti-HIV reverse transcriptase activities of TIBO derivatives

European Journal of Medicinal Chemistry

Volumn 45, Issue 4, 2010, Pages 1352-1358

  Goodarzi, Mohammad ^a   Freitas, Matheus P ^b  

^a ISLAMIC AZAD UNIVERSITY   (Iran)

^b FEDERAL UNIVERSITY OF LAVRAS   (Brazil)

Author keywords

Anti HIV reverse transcriptase activities; MIA QSAR; PCA ANFIS; TIBO derivatives

Indexed keywords

ENZYME INHIBITOR; HUMAN IMMUNODEFICIENCY VIRUS ANTIBODY; RNA DIRECTED DNA POLYMERASE; TETRAHYDROIMIDAZO [4,5,1-JK][1,4] BENZODIAZEPINE DERIVATIVE; UNCLASSIFIED DRUG;

ADAPTIVE NEURO FUZZY ADAPTIVE INFERENCE SYSTEM; ANALYTIC METHOD; ARTICLE; CONTROLLED STUDY; ENZYME INHIBITION; MULTIVARIATE ANALYSIS; PRINCIPAL COMPONENT ANALYSIS; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; FUZZY LOGIC; PRINCIPAL COMPONENT ANALYSIS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REVERSE TRANSCRIPTASE INHIBITORS;

EID: 77649190356     PISSN: 02235234     EISSN: 17683254     Source Type: Journal    
DOI: 10.1016/j.ejmech.2009.12.028     Document Type: Article

References (33)

1. AIDS Epidemic Update (2007). http://www.unaids.org/en/KnowledgeCentre/HIVData/EpiUpdate/EpiUpdArchive /2007/Default.asp
2. Leonard J.T., and Roy K. QSAR Comb. Sci. 23 (2004) 23-35
3. Roy K., and Leonard J.T. Bioorg. Med. Chem. 12 (2004) 745-754
4. Huuskonen J. J. Chem. Inf. Comput. Sci. 41 (2001) 425-429
5. Zhou Z., and Madura J.D. J. Chem. Inf. Comput. Sci. 44 (2004) 2167-2178
6. Toropov A.A., Toropova A.P., Nesterov I.V., and Nabiev O.M. J. Mol. Struct. (Theochem) 640 (2003) 175-181
7. Hannongbua S., Pungpo P., Limtrakul J., and Wolschann P. J. Comput. Aided Mol. Des. 13 (1999) 563-577
8. Solov'ev V.P., and Varnek A. J. Chem. Inf. Comput. 43 (2003) 1703-1719
9. Mandal A.S., and Roy K. Eur. J. Med. Chem. 44 (2009) 1509-1524
10. Freitas M.P., Brown S.D., and Martins J.A. J. Mol. Struct. 738 (2005) 149-154
11. Freitas M.P. Org. Biomol. Chem. 4 (2006) 1154-1159
12. Freitas M.P. Med. Chem. Res. 16 (2007) 461-467
13. Pinheiro J.R., Bitencourt M., da Cunha E.F.F., Ramalho T.C., and Freitas M.P. Bioorg. Med. Chem. 16 (2008) 1683-1690
14. Freitas M.P. Chemom. Intell. Lab. Syst. 91 (2008) 173-175
15. Freitas M.P., and Rittner R. QSAR Comb. Sci. 27 (2008) 582-585
16. Antunes J.E., Freitas M.P., and Rittner R. Eur. J. Med. Chem. 43 (2008) 1632-1638
17. Antunes J.E., Freitas M.P., da Cunha E.F.F., Ramalho T.C., and Rittner R. Bioorg. Med. Chem. 16 (2008) 7599-7606
18. Goodarzi M., and Freitas M.P. QSAR Comb. Sci. 27 (2008) 1092-1097
19. Bitencourt M., and Freitas M.P. Med. Chem. 5 (2009) 79-86
20. Cormanich R.A., Goodarzi M., and Freitas M.P. Chem. Biol. Drug Des. 73 (2009) 244-252
21. Goodarzi M., and Freitas M.P. Chemom. Intell. Lab. Syst. 96 (2009) 59-62
22. Freitas M.P., da Cunha E.F.F., Ramalho T.C., and Goodarzi M. Curr. Comput.-Aided Drug Des. 4 (2008) 273-282
23. Pearson K. Philos. Magazine 6 (1901) 559-572
24. Zadeh L.A. Inf. Contr 8 (1965) 338-353
25. Sugeno M., and Kang G. Fuzzy Set. Sys. 28 (1988) 15-33
26. ACD/ChemSketch Version 11.02 (2008), Advanced Chemistry Development, Inc., Toronto, Ont., Canada
27. Matlab Version 7.5 (2007), MathWorks Inc., Natick, MA
28. Loukas Y.L. J. Med. Chem. 44 (2001) 2772-2783
29. Centner V., de Noord O., and Massart D. Anal. Chim. Acta. 376 (1998) 153-168
30. Pinheiro J.R., Bitencourt M., da Cunha E.F.F., Ramalho T.C., and Freitas M.P. Bioorg. Med. Chem. 16 (2008) 1683-1690
31. Goodarzi M., and Freitas M.P. Separ. Purif. Technol. 68 (2009) 363-366
32. Yao X.J., Panaye A., Doucet P., Zhang R.S., Chen H.F., Liu M.C., Hu Z.D., and Fan B.T. J. Chem. Inf. Comput. Sci. 44 (2004) 1257-1266
33. Shi J., Luan F., Zhang H.X., Liu M.C., Guo Q.X., Hu Z.D., and Fan B.T. QSAR Comb. Sci. 25 (2006) 147-155