In Silico Screening of Chrysin Derivatives as Drug Leads Against Covid-19

Abstract

The current investigation was aimed at in silico studies of some selected chrysin derivatives to evaluate their activity in attenuation of COVID 19. In this study 50 chrysin derivatives were selected and Remedesivir was used as standard in assessing the anti-viral activity. To assess the ADMET potential of compounds, primarily drug-like properties and bioactivity scores were calculated. Using PATCHDOCK software, binding fitness scores for SARS COV2 protease and Angiotensin Converting Enzyme proteins were determined using molecular docking studies. According to results of in silico studies, derivatives of chrysin may offer promising leads for development of drugs with good antiviral properties against COVID 19.