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Research Journal of Pharmacy and Technology
Year : 2020, Volume : 13, Issue : 1
First page : ( 86) Last page : ( 90)
Print ISSN : 0974-3618. Online ISSN : 0974-360X.
Article DOI : 10.5958/0974-360X.2020.00016.5

In Silico Study of secondary metabolites from leaf extract of Plumbago zeylanica

Jenifer D. Roselin1,*, Dr. Malathy B. R.2, Dr. Christy H Jemmy3,*

1Department of Bioinformatics, Faculty of Bio and Chemical Engineering, Sathyabama Institute of Science and Technology, Chennai-119

2Department of Microbiology, Reader, Sathyabama Dental College and Hospital, Chennai-119

3Assistant Professor, Department of Bioinformatics, Sathyabama Institute of Science and Technology, Chennai-119

*Corresponding Author E-mail: jeni.christ20@gmail.com

Online published on 24 February, 2020.

Abstract

The anticancer activity of secondary metabolites identified from the medicinal plant Plumbago zeylanica was studied using In silico analysis to interpret the inhibitory activity of Matrix metalloproteinases (PDB ID: 3C7X). Polymorphism in Matrix metalloproteinases (MMPs) has been linked to different neoplaplasias, including oral squamous cell carcinoma (OSCC). Docking effect of the 14 secondary metabolites identified from Plumbago zeylanica with receptors was explored. Among the 14 secondary metabolites studied, five of them (Tetradecanal, Sulfurous acid 2-ethylhexyl isohexyl ester, 7, 9-Di-tert-butyl-1-oxaspiro(4, 5)deca, 1-Fluorononane, Nonadecanol) bind to protein receptors effectively. This was proved by computational modeling based on highest docking score and hydrogen bond interaction.

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Keywords

Tetradecanal, Sulfurous acid 2-ethylhexyl iso hexyl ester, 7, 9-Di-tert-butyl-1-oxaspiro (4, 5) deca, 1-Fluorononane, Nonadecanol, OSCC and metalloproteinases.

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