Building the Pharmacophore Model of HIV-1 Integrase Strand Transfer Inhibitors and Studying Their Inhibition Mechanism |
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| Authors: | WU Ke-Zhu LI Ai-Xiu LIU Xing-Tai CAI De-Hai MA Yi |
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| Affiliation: | WU Ke-Zhua, c LI Ai-Xiua, b LIU Xing-Taib CAI De-Haia MA Yid a (Drug Design Laboratory of the Basic Science Department, Medical College of Chinese People′s Armed Police Force, Tianjin 300162, China) b (Tianjin Key Laboratory for Biomarkers of Occupational and Environmental Hazard, Medical College of Chinese People′s Armed Police Force, Tianjin 300162, China) c (Department of Pharmacy, Jiangxi Provincial Corps Hospital of Chinese People’s Armed Police Force, Nanchang 300001, China) d (State Key Laboratory of Elemento-organic Chemistry, Nankai University, Tianjin 300071, China) |
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| Abstract: | The replication of HIV-1 requires the integration of its cyclic DNA into host DNA by HIV-1 integrase (IN), which includes two important reactions, 3'-processing and strand transfer, both catalyzed by HIV-1 IN. Disrupting either of the reactions will fulfill the purpose of inhibiting the replication of HIV-1. In this paper, pharmacophore modeling and molecular docking are employed to investigate the inhibition mechanism of the HIV-1 IN strand transfer inhibitors (INSTIs). Based on the results, we suggest tha... |
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| Keywords: | HIV-1 integrase strand transfer inhibitors pharmacophore model molecular docking mechanism |
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