Screening of natural compounds from Cyperus rotundus Linn against SARS-CoV-2 main protease (M^pro): An integrated computational approach.

ABSTRACT: Coronavirus disease 2019 (COVID-19) is a viral respiratory disease that has been spreading across the globe. The World Health Organization (WHO) declared it as a public health emergency. The treatment of COVID-19 has been hampered due to the lack of effective therapeutic efforts. Main Protease (M^pro) is a key enzyme in the viral replication cycle and its non-specificity to human protease makes it a potential drug target. Cyperus rotundus Linn, which belongs to the Cyperaceae family, is a traditional herbal medicine that has been widely studied for its antiviral properties. In this study, a computational approach was used to screen natural compounds from C. rotundus Linn using BIOVIA Discovery Suite and novel potential molecules against M^pro of SARS-CoV-2 were predicte

SUBMITTER: Kumar SB 

PROVIDER: S-EPMC8164362 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature