In-Silico Exploration of Plant Metabolites as Potential Remedies of Norovirus.

Abstract

Research is still being carried out to develop specific medications or vaccinations to fight norovirus, a key contributor to foodborne illness. This study evaluated certain plant-based active chemicals as prospective candidates for such treatments using virtual screening techniques and other computer assessments. Twenty (20) plant metabolites were tested against the norovirus VP1, VP2, P48, and P22 protein domains using the molecular docking method. In terms of the lowest global binding energy, Asiatic acid, avicularin, guaijaverin, and curcumin exhibited the highest binding affinity with all selected proteins. Each viral protein's essential binding sites with the potential drugs and drug surface hotspots were uncovered. The ADMET (absorption, distribution, metabolism, excretion, and toxicity) analysis was used to further analyze the pharmacological profiles of the top candidates. According to the results, none of the substances showed any adverse consequences that would reduce their drug-like properties. According to the analysis of the toxicity pattern, no detectable tumorigenic, mutagenic, irritating, or reproductive effects of the compounds were discovered. However, among the top four alternatives, curcumin exhibited the highest levels of cytotoxicity and immunotoxicity. These discoveries may open the way for the development of effective norovirus therapies and safety measures. Due to the positive outcomes, we strongly propose more in vivo experiments for the experimental validation of our findings.