Prediction of the binding mode and resistance profile for a dual-target pyrrolyl diketo acid scaffold against HIV-1 integrase and reverse-transcriptase-associated ribonuclease H.

Yang, Fengyuan; Zheng, Guoxun; Fu, Tingting; Li, Xiaofeng; Tu, Gao; Li, Ying Hong; Yao, Xiaojun; Xue, Weiwei; Zhu, Feng

Yang, Fengyuan; Zheng, Guoxun; Fu, Tingting; Li, Xiaofeng; Tu, Gao; Li, Ying Hong; Yao, Xiaojun; Xue, Weiwei; Zhu, Feng.

Affiliation

Yang F; Innovative Drug Research and Bioinformatics Group, School of Pharmaceutical Sciences and Collaborative Innovation Center for Brain Science, Chongqing University, Chongqing 401331, China. xueww@cqu.edu.cn.

Phys Chem Chem Phys ; 20(37): 23873-23884, 2018 Sep 26.

Article in En | MEDLINE | ID: mdl-29947629

Subject(s)

Anti-HIV Agents/chemistry; HIV Integrase Inhibitors/chemistry; HIV Integrase/chemistry; Keto Acids/chemistry; Molecular Docking Simulation; Pyrroles/chemistry; Ribonuclease H, Human Immunodeficiency Virus/antagonists & inhibitors; Anti-HIV Agents/pharmacology; Drug Resistance, Viral; HIV Integrase/genetics; HIV Integrase Inhibitors/pharmacology; Humans; Keto Acids/pharmacology; Mutation; Protein Binding; Pyrroles/pharmacology; Ribonuclease H, Human Immunodeficiency Virus/genetics; Structure-Activity Relationship; Thermodynamics

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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Pyrroles / HIV Integrase Inhibitors / HIV Integrase / Anti-HIV Agents / Ribonuclease H, Human Immunodeficiency Virus / Molecular Docking Simulation / Keto Acids Type of study: Prognostic_studies / Risk_factors_studies Limits: Humans Language: En Journal: Phys Chem Chem Phys Journal subject: BIOFISICA / QUIMICA Year: 2018 Document type: Article Affiliation country: China Country of publication: United kingdom

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