Synthesis, molecular docking, and binding Gibbs free energy calculation of β-nitrostyrene derivatives: Potential inhibitors of SARS-CoV-2 3CL protease.

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第一作者： Ze-Jun,Jia

第一单位： College of Biotechnology, Tianjin University of Science and Technology, Tianjin, 300457, PR China.

作者： Ze-Jun,Jia ^[1] ; Xiao-Wei,Lan ^[1] ; Kui,Lu ^[1] ; Xuan,Meng ^[1] ; Wen-Jie,Jing ^[1] ; Shi-Ru,Jia ^[1] ; Kai,Zhao ^[2] ; Yu-Jie,Dai ^[1]

作者单位： College of Biotechnology, Tianjin University of Science and Technology, Tianjin, 300457, PR China. ^[1] Hebei Kaisheng Medical Technology Co. LTD, No.319 of Xiangjiang Road, High-tech Zone, Shijiazhuang 050000, PR China.;Jiangxi Oushi Pharmaceutical Co. LTD, 1115 Saiwei Dadao, Yushui District, Xinyu 338004, PR China. ^[2]

关键词 3CLpro inhibitor Binding Gibbs free energies Molecular docking Receptor-ligand interaction SARS-CoV-2 β-nitrostyrene derivatives

DOI 10.1016/j.molstruc.2023.135409

PMID 36993878

发布时间 2023-04-12

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Journal of molecular structure

2023年1284卷

135409页

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Synthesis, molecular docking, and binding Gibbs free energy calculation of β-nitrostyrene derivatives: Potential inhibitors of SARS-CoV-2 3CL protease.

Journal of molecular structure

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Journal of molecular structure

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Synthesis, molecular docking, and binding Gibbs free energy calculation of β-nitrostyrene derivatives: Potential inhibitors of SARS-CoV-2 3CL protease.

Journal of molecular structure

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Journal of molecular structure

相关期刊

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