Natural derivatives with dual binding potential against SARS-CoV-2 main protease and human ACE2 possess low oral bioavailability: a brief computational analysis.

ABSTRACT: The world is witnessing severe health meltdown due to COVID-19. Generic antiviral drug remdesivir has been found to reduce time to clinical recovery but with insignificant clinical benefits and the antimalarial drug, hydroxychloroquine has been red flagged by USFDA for use as a prophylactic measure due to its cardiotoxicity. There is an acute requirement for a drug candidate that has significant clinical benefit with minimal to no side effects. With restricted access to wet laboratory techniques, an alternative approach is to engage in computational screening of lead molecules that could inhibit SARS-CoV-2 at different stages of its infectious cycle. Several in silico studies on natural derivatives, especially that present in daily refreshments (tea and fruit juices), staple food (b

SUBMITTER: Sharma P 

PROVIDER: S-EPMC7441762 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature