Evaluation of potency of the selected bioactive molecules from Indian medicinal plants with M
Indian spices
Insilico molecular docking
Medicinal plants
Mpro
Phytochemical
SARS CoV-2 virus
Journal
Journal of Ayurveda and integrative medicine
ISSN: 0975-9476
Titre abrégé: J Ayurveda Integr Med
Pays: United States
ID NLM: 101551404
Informations de publication
Date de publication:
Historique:
received:
16
07
2020
revised:
12
04
2021
accepted:
05
05
2021
pubmed:
1
6
2021
medline:
1
6
2021
entrez:
31
5
2021
Statut:
ppublish
Résumé
The recent outbreak of the novel SARS-CoV-2 across the globe and the absence of specific drug against this virus lead the scientific community to look into some alternative indigenous treatments. India as a hub of Ayurvedic and medicinal plants can shed light on its treatment using specific active bio-molecules from these plants. Keeping our herbal resources in mind, we were interested to inquire whether some phytochemicals from Indian spices and medicinal plants can be used as alternative therapeutic agents in contrast to synthetic drugs. We used Ursolic acid showed the highest docking score (-8.7 kcal/mol) followed by hyperoside (-8.6 kcal/mol), α-Hederin (-8.5 kcal/mol) and nimbaflavone (-8.0 kcal/mol). epigallocatechin, catechins, and curcumin also exhibited high binding affinity (Docking score -7.3, -7.1 and -7.1 kcal/mol) with the M This finding provides a basis for biochemical assay of tested bioactive molecules on SARS-CoV-2 virus.
Sections du résumé
BACKGROUND
BACKGROUND
The recent outbreak of the novel SARS-CoV-2 across the globe and the absence of specific drug against this virus lead the scientific community to look into some alternative indigenous treatments. India as a hub of Ayurvedic and medicinal plants can shed light on its treatment using specific active bio-molecules from these plants.
OBJECTIVES
OBJECTIVE
Keeping our herbal resources in mind, we were interested to inquire whether some phytochemicals from Indian spices and medicinal plants can be used as alternative therapeutic agents in contrast to synthetic drugs.
MATERIALS AND METHODS
METHODS
We used
RESULTS
RESULTS
Ursolic acid showed the highest docking score (-8.7 kcal/mol) followed by hyperoside (-8.6 kcal/mol), α-Hederin (-8.5 kcal/mol) and nimbaflavone (-8.0 kcal/mol). epigallocatechin, catechins, and curcumin also exhibited high binding affinity (Docking score -7.3, -7.1 and -7.1 kcal/mol) with the M
CONCLUSION
CONCLUSIONS
This finding provides a basis for biochemical assay of tested bioactive molecules on SARS-CoV-2 virus.
Identifiants
pubmed: 34054246
doi: 10.1016/j.jaim.2021.05.003
pii: S0975-9476(21)00075-9
pmc: PMC8139275
pii:
doi:
Types de publication
Journal Article
Langues
eng
Pagination
100449Informations de copyright
© 2021 The Authors.
Déclaration de conflit d'intérêts
None.
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