Computational evaluation of major components from plant essential oils as potent inhibitors of SARS-CoV-2 spike protein.

ABSTRACT: COVID-19, caused by SARS-CoV-2 has recently emerged as a global pandemic. Intense efforts are ongoing to find a vaccine or a drug to control the disease across the globe. Meanwhile, alternative therapies are also being explored to manage the disease. Phytochemicals present in essential oils are promising candidates which have been known to possess wide range of therapeutic activities. In this study, major components of several essential oils which are known for their antimicrobial properties have been docked against the S1 receptor binding domain of the spike (S) glycoprotein, which is the key target for novel antiviral drugs, to ascertain their inhibitory effects based on their binding affinities. It has been found that some monoterpenes, terpenoid phenols and phenyl propanoids such as an

SUBMITTER: Kulkarni SA 

PROVIDER: S-EPMC7334662 | biostudies-literature | 2020 Dec

REPOSITORIES: biostudies-literature