Interaction of gliadin peptide with the main components of SARS-CoV-۲: Molecular docking study

Gliadin is the main protein of gluten related to wheat and other cereals and is essential for the gluten network. The interaction of gluten-containing gliadin with bioactive macromolecules of pathogenic microorganisms, specifically severe acute respiratory syndrome coronavirus ۲ (SARS‑CoV‑۲), is of great interest. In this regard, this study employed protein-protein HDOCK server for evaluating molecular docking of peptide from alpha/beta-gliadin MM۱ as ligand with five major components of SARS-CoV-۲, including spike protein S۱, main proteases (Mpro), papain-like protease (PLpro), RNA-dependent RNA polymerase (RdRp), and helicase as receptors. The present docking study exhibited the lowest (-۱۹۹.۲۳) and the highest (-۱۶۸.۸۰) docking scores for helicase and PLpro receptors, respectively. In future studies, advanced micro- and nanoformulations based on gliadin may be exploited to encapsulate and load antiviral agents against SARS‑CoV‑۲ and related viruses.

کلیدواژه ها:

Gliadin peptides ، Gluten ، Novel formulations ، SARS-CoV-۲ ، HDOCK server ، Spike protein S۱