This chapter discusses the virtual screening of phytochemicals and
computational validation of identified ones as potential antiviral agents against the
SARS-CoV-2 virus. In addition, we have provided an outline of how to conduct virtual
screening and computer validation to identify potential lead compounds for further
studies, including their formulation, chemical characterization, validation, and
licensing, which have been addressed in the next chapter.
Keywords: ACE 2, Molecular docking, Molecular dynamic simulation, RBD, SARS-CoV-2, Scutellarein, Tinocordiside, Withanone.
