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• W1966647550 abstract "Molecular docking studies on a set of bisphenylbenzimidazole derivatives were conducted to identify the compounds binding orientations within the HIV-1 reverse transcriptase non-nucleoside binding pocket. A good correlation between the calculated binding free energies and the experimental inhibitory activities suggests that the identified binding conformations of these inhibitors are reliable. Based on obtained bisphenylbenzimidazoles binding conformations, a predictive quantitative structure-activity relationship model based on radial distribution function descriptors was developed. The obtained quantitative structure-activity relationship model was predictive according to internal and external validation experiments and might provide guidelines for the design of novel non-nucleoside HIV-1 reverse transcriptase inhibitors based on the 1-benzyl-2-arylbenzimidazole scaffold." @default.
• W1966647550 created "2016-06-24" @default.
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• W1966647550 date "2008-11-01" @default.
• W1966647550 modified "2023-09-23" @default.
• W1966647550 title "Docking and Quantitative Structure-Activity Relationship Studies for the Bisphenylbenzimidazole Family of Non-Nucleoside Inhibitors of HIV-1 Reverse Transcriptase" @default.
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• W1966647550 doi "https://doi.org/10.1111/j.1747-0285.2008.00716.x" @default.
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