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.
Theoretical study based on molecular docking to investigate the potential interaction of known antiviral food components with SARS-CoV-2 proteins
Giordano, Deborah;Scafuri, Bernardina;Carbone, Virginia;Bonora, Simone;D'Arminio, Nancy;Marabotti, Anna;Facchiano, Angelo
Supervision
2024-01-01
Abstract
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
