Comparative molecular docking and simulation analysis of molnupiravir and remdesivir with SARS-CoV-2 RNA dependent RNA polymerase (RdRp).

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作者： Shashank M,Patil ^[1] ; K R,Maruthi ^[2] ; Shrisha Naik,Bajpe ^[2] ; V M,Vyshali ^[3] ; S,Sushmitha ^[3] ; Chagalamari,Akhila ^[4] ; Ramith,Ramu ^[1]

作者单位： Department of Biotechnology and Bioinformatics, School of Life Sciences, JSS Academy of Higher Education and Research, Mysuru-570015, Karnataka, India. ^[1] Department of Biotechnology, Sri Dharmasthala Manjunatheshwara College (Autonomous), Ujire-574240, Karnataka, India. ^[2] Department of Biotechnology, BMS College for Women, Basavangudi, Bengaluru-560004, Karnataka, India. ^[3] Department of Pharmacology, JSS Medical College, JSS Academy of Higher Education and Research, Mysuru-570015, Karnataka, India. ^[4]

关键词 Molnupiravir RdRp Remdesivir SARS-CoV-2 binding free energy calculations druglikeliness in silico experiments molecular docking molecular dynamics pharmacokinetic properties

DOI 10.6026/97320630017932

PMID 35655903

发布时间 2024-09-27

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