Prediction of HIV-1 protease inhibitory activity of 4-hydroxy-5,6-dihydropyran-2-ones: QSAR study

References

• Clercq ED. Toward improved anti-HIV chemotherapy: therapeutic strategies for intervention with HIV infections. J Med Chem 1995;38:2491–17.
   PubMed Web of Science ®Google Scholar
• Milton J, Slater MJ, Bird AJ, Spinks D, Scott G, Price CE, Downing S, Green DV, Madar S, Bethell R, Stammers DK. Biaryl acids: novel non-nucleoside inhibitors of HIV reverse transcriptase types 1 and 2. Bioorg Med Chem Lett 1998;8:2623–28.
   PubMed Web of Science ®Google Scholar
• Pungpo P, Hannongbua S. Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis. J Mol Graph Model 2000;18:581–90, 601.
   PubMed Web of Science ®Google Scholar
• Nair AC, Jayatilleke P, Wang X, Miertus S, Welsh WJ. Computational studies on tetrahydropyrimidine-2-one HIV-1 protease inhibitors: improving three-dimensional quantitative structure-activity relationship comparative molecular field analysis models by inclusion of calculated inhibitor-and receptor-based properties. J Med Chem 2002;45:973–83.
   PubMed Web of Science ®Google Scholar
• Kumar S, Jacob RR, Tiwari M. 3D-QSAR study of some 5,6-dihydropyran-2-ones as protease inhibitors. Indian J Pharm Sci 2005;67:30–36.
   Google Scholar
• Garg R, Patel D. Hydrophobicity in the design of P2/P2′ tetrahydropyrimidinone HIV protease inhibitors. Bioorg Med Chem Lett 2005;15:3767–70.
   PubMed Web of Science ®Google Scholar
• Bhhatarai B, Garg R. From SAR to comparative QSAR: role of hydrophobicity in the design of 4-hydroxy-5,6-dihydropyran-2-ones HIV-1 protease inhibitors. Bioorg Med Chem 2005;13:4078–84.
   PubMed Web of Science ®Google Scholar
• Buolamwini JK, Assefa H. CoMFA and CoMSIA 3D QSAR and docking studies on conformationally-restrained cinnamoyl HIV-1 integrase inhibitors: exploration of a binding mode at the active site. J Med Chem 2002;45:841–52.
   PubMed Web of Science ®Google Scholar
• Raghavan K, Buolamwini JK, Fesen MR, Pommier Y, Kohn KW, Weinstein JN. Three-dimensional quantitative structure-activity relationship (QSAR) of HIV integrase inhibitors: a comparative molecular field analysis (CoMFA) study. J Med Chem 1995;38:890–7.
   PubMed Web of Science ®Google Scholar
• Ravichandran V, Agrawal RK. Predicting anti-HIV activity of PETT derivatives: CoMFA approach. Bioorg Med Chem Lett 2007;17:2197–202.
   PubMed Web of Science ®Google Scholar
• Ravichandran V, Jain PK, Mourya VK, Agrawal RK. QSAR study on some arylsulfonamides as anti-HIV agents. Med Chem Res 2007;16:7–9.
   Web of Science ®Google Scholar
• Ravichandran V, Mourya VK, Agrawal RK. QSAR study of novel 1, 1, 3-trioxo [1, 2, 4]-thiadiazine (TTDs) analogues as potent anti-HIV agents. Arkivoc 2007;XIV:204–12.
   Google Scholar
• Ravichandran V, Mourya VK, Agrawal RK. QSAR prediction of HIV–1 reverse transcriptase inhibitory activity of benzoxazinone derivatives. Internet Electron J Mol Des 2007;6:363–74.
   Google Scholar
• Ravichandran V, Prashanthakumar BR, Sankar S, Agrawal RK. Comparative molecular similarity indices analysis for predicting anti-HIV activity of phenyl ethyl thiourea (PET) derivatives. Med Chem Res 2008;17:1–11.
   Web of Science ®Google Scholar
• Sahu KK, Ravichandran V, Jain PK, Sharma S, Mourya VK, Agrawal RK. QSAR analysis of chicoric acid derivatives as HIV–1 integrase inhibitors. Acta Chimi Slov 2008;55:138–45.
   Web of Science ®Google Scholar
• Sahu KK, Ravichandran V, Mourya VK, Agrawal RK. QSAR analysis of caffeoyl naphthalene sulphonamide derivatives as HIV-1 Integrase inhibitors. Med Chem Res 2007;15:418–30.
   Web of Science ®Google Scholar
• Tait BD, Hagen S, Domagala J, Ellsworth EL, Gajda C, Hamilton HW, Prasad JV, Ferguson D, Graham N, Hupe D, Nouhan C, Tummino PJ, Humblet C, Lunney EA, Pavlovsky A, Rubin J, Gracheck SJ, Baldwin ET, Bhat TN, Erickson JW, Gulnik SV, Liu B. 4-hydroxy-5,6-dihydropyrones. 2. Potent non-peptide inhibitors of HIV protease. J Med Chem 1997;40:3781–3792.
   PubMed Web of Science ®Google Scholar
• Roy K. On some aspects of validations of predictive QSAR models. Expert Opin Drug Discov 2007;2:1567–77.
   PubMed Web of Science ®Google Scholar
• Roy PP, Roy K. On some aspects of variable selection for partial least squares regression models. QSAR Comb Sci 2007;27:302–13.
   Google Scholar
• Tropsha A, Gramatica P, Gombar VK. The importance of being earnest: validation is the absolute essential for successful application and interpretation of QSPR models. Quant Struct Act Rel 2003;22:1–9.
   Google Scholar