UGC Approved Journal no 63975(19)

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Published in:

Volume 9 Issue 10
October-2022
eISSN: 2349-5162

UGC and ISSN approved 7.95 impact factor UGC Approved Journal no 63975

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Published Paper ID:
JETIR2210418


Registration ID:
503764

Page Number

e127-e132

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Title

An In-Silico Study On The Molecular Interactions Of Anacyclin With SARS CoV-2 ACE-2 Binding Receptor

Abstract

Coronavirus disease 2019 (COVID-19) is an infectious disease, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV2). Angiotensin-converting enzyme 2 (ACE2) is not only an enzyme but also a functional receptor on cell surfaces through which SARS-CoV-2 enters the host cells and is highly expressed in the heart, kidneys, and lungs and shed into the plasma. It was reported that natural compounds obtained from plants have the ability to suppress the effect of SARS CoV-2. Therefore, the current study was carried on to investigate the inhibitory action of anacyclin against SARS-CoV2 entry into the cell using molecular docking approach to inhibit spike receptor binding domain bound to angiotensin- converting enzyme 2 (ACE2). The structure of SARS- CoV-2 spike receptor binding domain (RBD) and anacyclin were retrieved from PDB and IMPPAT(Indian Medicinal Plants, Phytochemistry And Therapeutics database). Molinspiration was used to check the drugability of anacyclin. AutoDock 4.2 software was used to dock the SARS- CoV-2 spike-RBD with anacyclin. Anacyclin satisfied the Lipinski rule and can be used as a drug. The binding energy of anacyclin to the Spike-RBD to ACE2 was -6.26 kcal/mol. In conclusion, in-silico studies of anacyclin from Anacyclus pyrethrum with SARS- CoV-2 ACE2 receptors showed that anacyclin may interfere with the attachment of spike with the human cell membrane and further it can be used as a potential drug candidate for COVID-19.

Key Words

SARS-CoV-2, Anacyclin, ACE2 receptor, Drug

Cite This Article

"An In-Silico Study On The Molecular Interactions Of Anacyclin With SARS CoV-2 ACE-2 Binding Receptor", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.9, Issue 10, page no.e127-e132, October-2022, Available :http://www.jetir.org/papers/JETIR2210418.pdf

ISSN


2349-5162 | Impact Factor 7.95 Calculate by Google Scholar

An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 7.95 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator

Cite This Article

"An In-Silico Study On The Molecular Interactions Of Anacyclin With SARS CoV-2 ACE-2 Binding Receptor", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.9, Issue 10, page no. ppe127-e132, October-2022, Available at : http://www.jetir.org/papers/JETIR2210418.pdf

Publication Details

Published Paper ID: JETIR2210418
Registration ID: 503764
Published In: Volume 9 | Issue 10 | Year October-2022
DOI (Digital Object Identifier): http://doi.one/10.1729/Journal.34529
Page No: e127-e132
Country: Madurai, Tamil Nadu, India .
Area: Biological Science
ISSN Number: 2349-5162
Publisher: IJ Publication


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