Identification of phytocompounds as newer antiviral drugs against COVID-19 through molecular docking and simulation based study

B Kar, B Dehury, MK Singh, S Pati… - Journal of Molecular …, 2022 - Elsevier
COVID-19 pandemic has emerged as a global threat with its highly contagious and mutating
nature. Several existing antiviral drugs has been worked on, without proper results and
meanwhile the virus is mutating rapidly to create more infectious variant. In order to find
some alternatives, phytocompounds can be opted as good one. In this study, three hundred
phytocompounds were screened virtually against two viral proteins namely main protease
and spike protein. Molecular docking and dynamic simulation study was used to find binding …
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