GOPALASATHEESKUMAR K, Karthikeyen Lakshmanan, Anguraj Moulishankar, J. Suresh, D. K. Babu, V. Kalaichelvan
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引用次数: 5
摘要
COVID-19是由新型冠状病毒引起的传染性大流行疾病。COVID-19在短时间内全球传播。推广悉达和其他印度医学体系的印度阿尤什部建议使用Nilavembu Kudineer和Kaba Sura Kudineer Chooranam(KSKC)等配方。目前的工作旨在为KSKC制剂的74种不同成分对两个关键目标的作用提供证据。这是通过分子对接研究的主要蛋白酶和SARS-CoV-2 rnadependent entrna聚合酶靶点。在74个化合物中,约50个化合物获得了针对covid -19主要蛋白酶的对接结果,42个化合物获得了针对SARSCoV-2 RNA依赖性RNA聚合酶的对接结果。本研究发现,KSKC具有抑制COVID-19主要蛋白酶靶点和SARS-CoV-2 rna依赖性rna聚合酶的先导分子。
Screening of Kabasura Kudineer Chooranam against COVID-19 through Targeting of Main Protease and RNA-Dependent RNA Polymerase of SARS-CoV-2 by Molecular Docking Studies
COVID-19 is the infectious pandemic disease caused by the novel
coronavirus. The COVID-19 is spread globally in a short span of
time. The Ministry of AYUSH, India which promotes Siddha and
other Indian system of medicine recommends the use of formulation
like Nilavembu Kudineer and Kaba Sura Kudineer Chooranam
(KSKC). The present work seeks to provide the evidence for the
action of 74 different constituents of the KSKC formulation acting
on two critical targets. That is main protease and SARS-CoV-2 RNAdependent
RNA polymerase target through molecular docking studies.
The molecular docking was done by using AutoDock Tools 1.5.6 of
the 74 compounds, about 50 compounds yielded docking results against
COVID-19 main protease while 42 compounds yielded against SARSCoV-
2 RNA-dependent RNA polymerase. This research has concluded
that the KSKC has the lead molecules that inhibits COVID-19’s target
of main protease of COVID-19 and SARS-CoV-2 RNA-dependent
RNA polymerase.