In silico study of the inhibition of SARS-COV-2 viral cell entry by neem tree extracts.

ABSTRACT: The outbreak of COVID-19, caused by SARS-COV-2, is responsible for higher mortality and morbidity rates across the globe. Until now, there is no specific treatment of the disease and hospitalized patients are treated according to the symptoms they develop. Efforts to identify drugs and/or vaccines are ongoing processes. Natural products have shown great promise in the treatment of many viral related diseases. In this work, using in silico methods, bioactive compounds from the neem tree were investigated for their ability to block viral cell entry as spike RBD-ACE2 inhibitors. Azadirachtin H, quentin and margocin were identified as potential compounds that demonstrated viral cell entry inhibition properties. The structural re-orientation of azadirachtin H was observed as the mechanis

SUBMITTER: Shadrack DM 

PROVIDER: S-EPMC9037307 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature