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Natural Product Research
Formerly Natural Product Letters
Volume 35, 2021 - Issue 23
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Brief Report

Bioactive compounds from marine resources against novel corona virus (2019-nCoV): in silico study for corona viral drug

R. Vijayaraja Department of Marine Biotechnology, AMET University, Chennai, IndiaORCID Iconhttps://orcid.org/0000-0002-4170-1685
ORCID Icon,
K. Altaffa Department of Marine Biotechnology, AMET University, Chennai, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-9178-2519
ORCID Icon,
A. Sherlin Rositab Department of Bioinformatics, Bishop Heber College, Trichy, India
,
S. Ramadevic Department of Biotechnology, Bonsecours College for Women, Thanjavur, India
&
J. Revathyc Department of Biotechnology, Bonsecours College for Women, Thanjavur, India
Pages 5525-5529 | Received 27 Apr 2020, Accepted 23 Jun 2020, Published online: 09 Jul 2020
 
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Abstract

Present research reports the molecular docking analysis of 2019-nCoV inhibition by antiviral compounds from marine natural resources. For this study, the structure of ligand (antiviral compound) and 2019-nCoV main protease (Mpro) was received from the databases of PubChem and Protein Data Bank (PDB), respectively. Molecular Docking was performed by Autodock version 4.2.6 software. Eight antiviral compounds identified showed inhibitory activities against novel 2019-nCoV protease. Of these compounds, Esculetin ethyl ester (-8.42 kcal/mol) from Marine Sponges Axinella cf. corrugata, has the strongest interaction with the protease enzyme of 2019-nCoV and it may be considered as an effective 2019-nCoV antiprotease drug.

Acknowledgment

The authors are thankful to the management of AMET University for providing facility to carry out this research work.

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