Molecular docking of quassinoid compounds javanicolides A-F and H with C3-like protease (or 3CLpro) of SARS and SARS-C0V-2 (COVID-19) and VP8* domain of the outer capsid protein VP4 of rotavirus A

Corona virus SARS-CoV-2, otherwise known as COVID-19 has created a pandemic from which as of June 13, 2020 the virus has infected 7,778,242 people throughout 213 countries of the world and caused deaths of 429,014 persons. COVID-19 is not the only virus troubling humans. Prior to SARS-CoV-2, there was SARS and MERS. Also according to the World Health Organization (WHO), rotaviruses are the most common causes of diarrheal episodes in children under 5 years of age and about 215,000 children die each year from rotavirus infections. Thus far there has been no discovery of therapeutics like drugs or vaccines effective against COVID-19. Four oral live attenuated rotavirus vaccines are available, but are less efficacious in low income countries. COVID treatments are costly and place a heavy financial burden on the society and the infected individual. Drugs like Ivermectin and Remdesivir are effective against only a fraction of the COVID patients; the drugs are yet to undergo full clinical trials against COVID-19. Against this backdrop, it is of utmost importance to explore the plant kingdom for phytochemical(s), which may be effective against multiple types of viruses. In this study we report the high binding affinities of several javanicolides (quassinoid group of compounds) to SARS and SARS-CoV-2 (COVID-19) C3-like protease (or 3CLpro), and VP8* domain of the outer capsid protein VP4 of rotavirus A. The results suggest that the javanicins can turn out to be lead compounds for developing effective therapeutics against SARS, SARS-CoV-2 and rotavirus A.