Pharmacophore modeling of some novel indole β-diketo acid and coumarin-based derivatives as HIV integrase inhibitors

[1]  A. Kuki,et al.  Azaindole hydroxamic acids are potent HIV-1 integrase inhibitors. , 2009, Journal of medicinal chemistry.

[2]  Y. Pommier,et al.  2,3-dihydro-6,7-dihydroxy-1H-isoindol-1-one-based HIV-1 integrase inhibitors. , 2008, Journal of medicinal chemistry.

[3]  Thompson N. Doman,et al.  3D QSAR Methods: Phase and Catalyst Compared. , 2007 .

[4]  David A. Evans,et al.  3D QSAR Methods: Phase and Catalyst Compared , 2007, J. Chem. Inf. Model..

[5]  David E. Shaw,et al.  PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results , 2006, J. Comput. Aided Mol. Des..

[6]  Y. Pommier,et al.  Mechanisms and inhibition of HIV integration. , 2006, Drug discovery today. Disease mechanisms.

[7]  Steven L Dixon,et al.  PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching , 2006, Chemical biology & drug design.

[8]  Scott D Bembenek,et al.  Three-dimensional models of histamine H3 receptor antagonist complexes and their pharmacophore. , 2006, Journal of molecular graphics & modelling.

[9]  K. Hertogs,et al.  Design and optimization of tricyclic phtalimide analogues as novel inhibitors of HIV-1 integrase. , 2005, Journal of medicinal chemistry.

[10]  Anil K. Saxena,et al.  Characterization of β3-adrenergic receptor: determination of pharmacophore and 3D QSAR model for β3 adrenergic receptor agonism , 2005, J. Comput. Aided Mol. Des..

[11]  R. Shoemaker,et al.  Design and Synthesis of Novel Indole β-Diketo Acid Derivatives as HIV-1 Integrase Inhibitors , 2004 .

[12]  Stanislav Miertus,et al.  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. , 2002, Journal of medicinal chemistry.

[13]  S. Hannongbua,et al.  Three-dimensional quantitative structure-activity relationships study on HIV-1 reverse transcriptase inhibitors in the class of dipyridodiazepinone derivatives, using comparative molecular field analysis. , 2000, Journal of molecular graphics & modelling.

[14]  R. Zauhar,et al.  Computational studies on HIV-1 protease inhibitors: influence of calculated inhibitor-enzyme binding affinities on the statistical quality of 3D-QSAR CoMFA models. , 2000, Journal of medicinal chemistry.

[15]  F. Bushman,et al.  A new class of HIV-1 integrase inhibitors: the 3,3,3', 3'-tetramethyl-1,1'-spirobi(indan)-5,5',6,6'-tetrol family. , 2000, Journal of medicinal chemistry.

[16]  K. Kohn,et al.  Chicoric acid analogues as HIV-1 integrase inhibitors. , 1999, Journal of medicinal chemistry.

[17]  Y. Pommier,et al.  Coumarin-based inhibitors of HIV integrase. , 1997, Journal of medicinal chemistry.

[18]  J N Weinstein,et al.  Three-dimensional quantitative structure-activity relationship (QSAR) of HIV integrase inhibitors: a comparative molecular field analysis (CoMFA) study. , 1995, Journal of medicinal chemistry.

[19]  F. Bushman,et al.  A rapid in vitro assay for HIV DNA integration. , 1991, Nucleic acids research.

[20]  A. Skalka,et al.  The avian retroviral IN protein is both necessary and sufficient for integrative recombination in vitro , 1990, Cell.

[21]  V. Soriano,et al.  Integrase inhibitors. , 2005, Journal of HIV therapy.

[22]  Arup K. Ghose,et al.  Pharmacophore Modelling: Methods,Experimental Verification and Applications , 2002 .