Evidence-Based Research in Ayurveda against COVID-19 in Compliance with Standardized Protocols and Practices

Virtual Screening and Computational Study

Author(s): Acharya Balkrishna

Pp: 1-18 (18)

DOI: 10.2174/9789815051186122010003

* (Excluding Mailing and Handling)


 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.

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