Title : The natural way forward: Molecular dynamics simulation analysis of phytochemicals from Indian medicinal plants as potential inhibitors of SARS-CoV-2 targets.

Pub. Date : 2020 Dec

PMID : 32969524






1 Functional Relationships(s)
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1 The results revealed that Withanolide R (-141.96 KJ/mol) and 2,3-Dihydrowithaferin A (-87.60 KJ/mol) were with the lowest relative free energy of binding for main protease and the spike proteins respectively. 2,3-Dihydrowithaferin A surface glycoprotein Severe acute respiratory syndrome coronavirus 2