Abstract
In order to distinguish possible hits that can inhibit the COVID-19 effects, virtual screening of natural polyphenols (PPs) was carried out by molecular docking (MD) and simulations in silico ADMET and drug like forecasts. Considering the medical relevance literature released, 4 phytochemicals (PC’s) have been chosen with analogous PPs to scan the possible inhibitors for the replicase polyprotein 1ab therapeutic protein targets. The experiments in silico computing showed the efficacy of PPs such as ellagitana against the COVID-19 target proteins.The protein-ligand interaction analysis found that the proteins in the target proteins associate these PC’s with the amino acid residues. The central structure of these possible hits can then be used to further optimise COVID-19 drug design. Also, medicinal plants that contain these PCs can be used to produce appropriate therapeutic approaches for conventional therapies like Strawberry (Fragaria x ananassa), Kiwi fruit (Actinidia chinensis), Litchi (Litchi chinensis) and Durian fruit (Durio zibethinus).
Published Version (
Free)
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call