Molecular docking and experimental validation of the effect of ergothioneine on heat shock protein-70 following endurance exercise by Arabian stallions.

Background: Exercise-induced oxidative stress is a challenge in equine sports. This study aims at determining the effects of ergothioneine on heat shock protein-70 (HSP-70) following the stress of an endurance exercise of 30 km by Arabian stallions. Molecular docking was also done to investigate the interaction between the ligand ergothioneine and heat shock protein-70 using sulfogalactosylceramide and sulfogalactoglycerolipid as standards.

In silico investigation of saponins and tannins as potential inhibitors of SARS-CoV-2 main protease (M).

It is no longer news that a novel strain of coronavirus named SARS-CoV-2 is ravaging the health sector worldwide, several attempts have been made to curtail this pandemic via repurposing of old drugs but at the present, available drugs are not adequately effective. Over the years, plant phytochemicals are increasingly becoming alternative sources of antimicrobial agents with novel mechanisms of action and limited side effects compared to synthetic drugs. Isolated saponins and tannins were evaluated for antiviral activity against SARS-CoV-2 (M) via Molecular Docking and it was observed that a handsome number of the phytochemicals had binding affinities much better than Remdesivir, Dexamethasone, and N3 inhibitor which were used as the standards in this study.