Theoretical study based on molecular docking to investigate the potential interaction of known antiviral food components with SARS-CoV-2 proteins

Many food components have antiviral activity, but in most cases, studies in the literature do not report detailed investigations of molecular mechanisms. We performed a comprehensive molecular docking study to investigate the potential interaction of several food molecules, selected for their known antiviral activity, with twelve SARS-CoV-2 target proteins (NSP3, NSP5, NSP7, NSP8, NSP9, NSP10, NSP12, NSP15, NSP16, ORF7A, protein N, and Spike protein). The results suggest that some molecules, particularly β-carotene, all-trans-retinoic acid (ATRA), epigallocatechin 3-gallate and kaempferol, can interact with SARS-CoV-2 protein targets. The study opens new insights into the molecular mechanisms underlying the antiviral properties of food components.