Investigation of the potential covid-19 inhibitor from Cassia alata and Dendrophthoe petandra using computational approach
نویسندگان
چکیده
Abstract COVID-19 is a recent coronavirus outbreak caused by SARS-CoV-2 beginning in early December 2019 Wuhan China raising global health problems. The SARS main peptidase (SARS-CoV M(pro)) plays an essential role the life-cycle of virus and primary target for development anti-SARS agents. Also, viral 3-chymotrypsin-like cysteine protease 3 (3CLpro) enzyme controls replication its life cycle. Therefore, herein, we performed silico virtual screening compounds from Cassia alata Dendrophthoe petandra such as; aloe-emodin, emodin, kaempferol, quercetin quercitrin against M pro also 3CL through molecular docking approach using Autodock 4.2, with Lamarckian Genetic Algorithm. binding energies obtained result quercetin, kaempferol aloe-emodin appeared to have best potential act as inhibitors.
منابع مشابه
Flavonoid glycosides from Cassia alata.
Two new glycosides, chrysoeriol-7-O-(2"-O-beta-D-mannopyranosyl)-beta-D-allopyranos ide and rhamnetin-3-O-(2"-O-beta-D-mannopyranosyl)-beta-D-allopyranosid e, were isolated from the seeds of Cassia alata. The structures were established on the basis of chemical evidence and spectroscopic methods, especially NMR.
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ژورنال
عنوان ژورنال: IOP conference series
سال: 2021
ISSN: ['1757-899X', '1757-8981']
DOI: https://doi.org/10.1088/1757-899x/1011/1/012017