In-Silico Exploration of Plant Metabolites as Potential Remedies of Norovirus.
Journal
Advances in virology
ISSN: 1687-8639
Titre abrégé: Adv Virol
Pays: United States
ID NLM: 101508613
Informations de publication
Date de publication:
2022
2022
Historique:
received:
31
08
2022
revised:
29
09
2022
accepted:
06
10
2022
entrez:
31
10
2022
pubmed:
1
11
2022
medline:
1
11
2022
Statut:
epublish
Résumé
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
Identifiants
pubmed: 36313589
doi: 10.1155/2022/8905962
pmc: PMC9613402
doi:
Types de publication
Journal Article
Langues
eng
Pagination
8905962Informations de copyright
Copyright © 2022 Zenifer Alam et al.
Déclaration de conflit d'intérêts
The authors declare that they have no conflicts of interest.
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