A Search of COVID-19 main Protease Inhibitor from Plant Derived Alkaloids using Chloroquine and Hydroxychloroquine as Reference: An In-silico Approach

Bhaskor Kolita¹ , Amlan Jyoti Bora² , Pinaki Hazarika³

Section:Research Paper, Product Type: Journal-Paper
Vol.7 , Issue.2 , pp.51-61, Apr-2020

Online published on Apr 30, 2020

Copyright © Bhaskor Kolita, Amlan Jyoti Bora, Pinaki Hazarika . This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
 

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Abstract :
Coronavirus disease 2019 (COVID-19) is an infectious disease that causes respiratory illness in human and has now become a major challenge for all over the world. As no drug is approved yet for COVID-19, it is strongly demanding to search lead compounds. Therefore, the current investigation is an attempt to screen lead molecule for inhibition of Covid-19 main protease. Herein, we considered 98 plant derived alkaloids having antimalarial activity, quinine and docked with COVID-19 main protease taking Chloroquine, hydroxychloroquine as reference. Finally, compounds Bidebiline E, Bisnordihydrotoxiferine and Thalifaberine were screened as lead molecule on the basis of Moldock score, H-bond interaction and ADMET study, and recommended for in vitro investigation.

Key-Words / Index Term :
COVID-19; Chloroquine; Hydroxychloroquine; Alkaloids; ADMET

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