In vitro Anti SARS-CoV-2 Activity and Docking Analysis of , and Edible Mushrooms.

Background: Fungi are rich source of biologically active metabolites aimed for the improvement of human health through the prevention of various diseases, including infections and inflammatory disorders.

Aim: We aimed to in vitro examine the anti-SARS CoV-2 activity of the aqueous extract of each .) , (.) and (.) edible mushroom followed by docking analysis of certain metabolites against the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)-main protease (protease M).

Methods: Antiviral and cytotoxic effects were tested on hCoV-19/Egypt/NRC-3/2020/Vero-E6 cells and analyzed via (3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide Assay (MTT) assay. Ligand-protein and protein-protein docking studies were performed to explore the interaction of different mushroom extracts at the binding site of protease M. Molecular dynamics (MD) simulations were performed on the most promising ligand-target complexes to investigate their dynamic properties and confirm docking results.

Results: Substantial antiviral activities with an IC of 39.19, 26.17, and 10.3.3 µg/mL and a selectivity index (SI) of 4.34, 3.44, and 1.5 for , and , were observed, respectively. Docking analysis revealed that, catechin from three mushroom isolates, chlorogenic acid from , kamperferol of and quercetin from , with a C-DOCKER interaction energy in the range of 22.8-37.61 (Kcal/mol) with protease compared to boceprevir ligand of 41.6 (Kcal/mol). Docking of superoxide dismutase, catalase from the three mushrooms, tyrosinase from showed ligand contact surface area with the protein as 252.74 Å while receptor contact surface area was 267.23 Å.

Conclusion: , and have potential and remarkable in vitro antiviral activities against SARS-CoV-2. Quercetin from s, Kaempferol from , chlorogenic acid and ascorbic acid, catechin, superoxide dismutase and catalase of the three mushrooms extracts were effectively bounded to M of SARS-CoV-2 as conferred by docking analysis.