In vitro Anti SARS-CoV-2 Activity and Docking Analysis of Pleurotus ostreatus, Lentinula edodes and Agaricus bisporus Edible Mushrooms
Shaza M. Elhusseiny, Taghrid S. El-Mahdy, Nooran S. Elleboudy, I.S. Yahia, Mohamed M. S. Farag, Nasser S. M. Ismail, Mahmoud A. Yassien, Khaled M Aboshanab
Abstract
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 Pleurotus (P .) ostreatus , Lentinula ( L .) edodes and Agaricus ( A .) bisporus edible mushroom followed by docking analysis of certain metabolites against the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)-main protease (protease M pro ). 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 pro . 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 50 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 P. ostreatus , L. edodes and A. bisporus , were observed, respectively. Docking analysis revealed that, catechin from three mushroom isolates, chlorogenic acid from A. bisporus , kamperferol of P. ostreatus and quercetin from L. edodes , 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 A. bisporus showed ligand contact surface area with the protein as 252.74 Å 2 while receptor contact surface area was 267.23 Å 2 . Conclusion: P. ostreatus , L. edodes and A. bisporus have potential and remarkable in vitro antiviral activities against SARS-CoV-2. Quercetin from L. edode s, Kaempferol from P. ostreatus , chlorogenic acid and ascorbic acid, catechin, superoxide dismutase and catalase of the three mushrooms extracts were effectively bounded to M pro of SARS-CoV-2 as conferred by docking analysis. Keywords: edible mushrooms, Pleurotus ostreatus , Lentinula edodes , Agaricus bisporus , SARS-CoV-2, cytotoxicity