Molecular docking identification for the efficacy of natural limonoids against COVID-19 virus main protease
Journal of the Indian Chemical Society
; 98(10):6, 2021.
Article
in English
| Web of Science | ID: covidwho-1510017
ABSTRACT
COVID-19 pandemic is the biggest public health problem of the century so far.The main protease (Mpro) is one of the main enzymes studied as a pharmacological target. In this context, the present work aimed to perform a virtual screening of possible inhibitors against the enzyme Mpro, having limonoids as the main object of research as supposed inhibitors. Molecular docking simulations indicated that limonoids have an affinity to complex with M-pro.However, Limonine and Nimoliciol showed nonspecific and low affinity interactions. In conclusion, Limonoids are substances of natural origin that can be used in the study of new pharmacological tools designed to combat and understand COVID-19.
Full text:
Available
Collection:
Databases of international organizations
Database:
Web of Science
Language:
English
Journal:
Journal of the Indian Chemical Society
Year:
2021
Document Type:
Article
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