Molecular Modeling and Docking Studies of 2,4,5-Trisubstituted Pyrimidines as HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors
Author:
Affiliation:
1. Department of Chemistry, University of Shanghai for Science and Technology, Shanghai, PR China
2. School of Chemical and Environmental Engineering, Shanghai Institute of Technology, Shanghai, PR China
Publisher
Informa UK Limited
Subject
Materials Chemistry,Organic Chemistry,Polymers and Plastics
Link
https://www.tandfonline.com/doi/pdf/10.1080/10406638.2022.2141274
Reference38 articles.
1. WHO. HIV data and statistics. 2020. [accessed 30 November 2020]. https://www.who.int/hiv/data/en/
2. HIV-1 Protease and Reverse Transcriptase Inhibitory Activities of Curcuma aeruginosa Roxb. Rhizome Extracts and the Phytochemical Profile Analysis: In Vitro and In Silico Screening
3. The structural biology of HIV-1: mechanistic and therapeutic insights
4. Advances in rationally designed dual inhibitors of HIV-1 reverse transcriptase and integrase
5. The recent application of 3D-QSAR and docking studies to novel HIV-protease inhibitor drug discovery
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1. 3D-QSAR, molecular docking, and molecular dynamics analysis of novel biphenyl-substituted pyridone derivatives as potent HIV-1 NNRTIs;Journal of Biomolecular Structure and Dynamics;2023-11
2. Design of novel DABO derivatives as HIV-1 RT inhibitors using molecular docking, molecular dynamics simulations and ADMET properties;Journal of Biomolecular Structure and Dynamics;2023-06-05
3. Drug Design, Molecular Docking and Molecular Dynamics Simulations of Indole Class HIV‐1 NNRTIs Explored with QSAR and Topomer Search;ChemistrySelect;2023-05-15
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