Marine drugs as putative inhibitors against non-structural proteins of SARS-CoV-2: an in silico study.

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第一作者： Simran,Patel

第一单位： Faculty of Pharmacy, Marwadi University, Rajkot, Gujarat, 360003, India.

作者： Simran,Patel ^[1] ; Haydara,Hasan ^[1] ; Divyesh,Umraliya ^[1] ; Bharat Kumar Reddy,Sanapalli ^[2] ; Vidyasrilekha,Yele ^[3]

作者单位： Faculty of Pharmacy, Marwadi University, Rajkot, Gujarat, 360003, India. ^[1] Department of Pharmacology, Faculty of Pharmacy, Marwadi University, Rajkot, Gujarat, 360003, India. bharathsanapalli@yahoo.in. ^[2] Department of Pharmacology, School of Pharmaceutical Sciences, MB University, Tirupati, Andhra Pradesh, 517102, India. bharathsanapalli@yahoo.in. ^[3] Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Marwadi University, Rajkot, Gujarat, 360003, India. vidyasrilekha16@gmail.com. ^[4]

关键词 ADMET properties Binding free energy calculations Molecular docking Molecular dynamics simulation studies Non-structural proteins SARS-CoV-2

主题词人类(Humans);叠氮红霉素(Azithromycin);生物制品(Biological Products);催化作用(Catalysis);分子动力学模拟(Molecular Dynamics Simulation);抗病毒药(Antiviral Agents);蛋白酶抑制药(Protease Inhibitors)

DOI 10.1007/s00894-023-05574-9

PMID 37171714

发布时间 2023-06-07

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