1-BENZOYL-2-(2-NITROPHENYL)-1H-BENZIMIDAZOLE DERIVATIVES: A NOVEL APPROACH TO THE DEVELOPMENT OF NEW HIV-1 REVERSE TRANSCRIPTASE INHIBITORS
作者： David Vásquez , Carlos F Lagos , Jaime Mella-Raipán , Luis González , Roberto Ebensperger
DOI: 10.4067/S0717-97072007000400002
关键词: Reverse transcriptase 、 Molecular model 、 Stereochemistry 、 Moiety 、 Benzimidazole 、 Biological activity 、 Enzyme 、 In vitro 、 Substituent 、 Chemistry
摘要: A novel approach to the development of a new class HIV-1 RT inhibitors is reported. The 1-benzoyl-2-aryl-1H-benzimidazole series was designed as combination two previously reported active scaffolds, benzimidazole and benzoyl moieties. compounds effectively blocked reverse transcription in micromolar range an vitro assay containing wild-type enzyme. We have demonstrated that 2-nitrophenyl C-2 substituent important structural feature for desired biological activity this series. Molecular docking experiments suggest adopt butterflylike conformation within binding pocket enzyme, with moiety located extended hydrophobic region defined mainly by Tyrl 81, 88, Trp229
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