In Silico Screening of Phytochemicals of Ocimum Sanctum Against Main Protease of SARS CoV 2
ChemRxiv(2020)
摘要
COVID19 has compelled the scientific community to search for an effective drug that can
cure; a vaccine or an immunity booster that can prevent the disease. As of now, it is tough to
discover a new drug and vaccine discovery is even tougher. Drug repurposing is a shortcut to
drug discovery for COVID19. Even this has been proved unsatisfactory. Symptomatic
treatment and immunity boosters are only alternatives left. Holy Tulsi (Ocimum sanctum) has
been known as an ancient remedy for cure of common cold and respiratory ailment in India
vis-a-vis also has been prescribed as one of the recommended ingredients in the immunity
booster preparations. The ethanolic extract of aerial parts of Tulsi is reported to contain
flavonoids and polyphenolic acids, which are also reported earlier to have anti-viral
properties experimentally. Therefore, we undertake the in silico analysis of the
phytochemicals as inhibitors of main protease of SARS-CoV-2 virus. The result suggests that
the flavonoids and polyphenolic compounds of Tulsi, especially luteolin-7-O-glucuronide and
chlorogenic acid may covalently bind to the active residue Cys145 of main protease and
irreversibly inhibit the viral enzyme. Further experimental validations are required to
establish the theoretical findings.
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