Evaluation of Novel HIV-1 Protease Inhibitors with DRV-resistance by Utilizing 3D-QSAR Molecular Docking and Molecular Dynamics Simulation

Yan-Jun Zhang,Lu Chen,Jie Xu,Hui-Fang Jiang,Yi-Ren Zhu,Zhonghua Wang,Fei Xiong

New Journal of Chemistry（2022）

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摘要

HIV-1 protease is a key enzyme in the maturation process of HIV protein. HIV-1 PIs is an important class of drug to inhibit HIV infection and has an important effect...

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关键词

molecular docking,molecular dynamics simulation,inhibitors,drv-resistance,d-qsar

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