NDLI: In silico identification of potential inhibitors from Cinnamon against main protease and spike glycoprotein of SARS CoV-2

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In silico identification of potential inhibitors from Cinnamon against main protease and spike glycoprotein of SARS CoV-2

Content Provider	Scilit
Author	Prasanth, D. S. N. B. K. Murahari, Manikanta Chandramohan, Vivek Panda, Siva Prasad Atmakuri, Lakshmana Rao Guntupalli, Chakravarthi
Copyright Year	2020
Description	Cinnamon has been utilized to remedy a lot of afflictions of humans. Literary works illustrate that it possesses numerous biological activities. Our research study is intended to recognize the phyto-derived antiviral substances from Cinnamon against COVID-19 main protease enzyme and to understand the in silico molecular basis of its activity. In the present study, 48 isolates compounds from Cinnamon retrieved from the PubMed database, are subjected to docking analysis. Docking study was performed using Autodock vina and PyRx software. Afterwards, admetSAR, as well as DruLiTo servers, were used to investigate drug-likeness prophecy. Our study shows that the nine phytochemicals of Cinnamon are very likely against the main protease enzyme of COVID-19. Further MD simulations could identify Tenufolin (TEN) and Pavetannin C1 (PAV) as hit compounds. Utilizing contemporary strategies, these phyto-compounds from a natural origin might establish a reliable medication or support lead identification. Identified hit compounds can be further taken for in vitro and in vivo studies to examine their effectiveness versus COVID-19. Communicated by Ramaswamy H. Sarma
Related Links	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7332870/pdf
Ending Page	4632
Page Count	15
Starting Page	4618
ISSN	07391102
e-ISSN	15380254
DOI	10.1080/07391102.2020.1779129
Journal	Journal of Biomolecular Structure and Dynamics
Issue Number	13
Volume Number	39
Language	English
Publisher	Informa UK Limited
Publisher Date	2020-06-22
Access Restriction	Open
Subject Keyword	Integrative and Complementary Medicine Cinnamon Sars Cov-2 Main Protease Spike Glycoprotein Autodock
Content Type	Text
Resource Type	Article
Subject	Structural Biology Medicine Molecular Biology

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