IN SILICO DOCKING ANALYSIS OF BIOACTIVE COMPOUNDS FROM CALOPHYLLUM INOPHYLLUM L. ETHANOL LEAF EXTRACT AGAINST EGFR PROTEIN


Jaikumar K, Sheik Noor Mohamed, John Wyson W, Deventhiran M, Babu A, Anand D, Saravanan P

Abstract


Objective: The objective of this study was to evaluate the effective new phytocomponents from Calophyllum inophyllum ethanol leaf extract against breast cancer target protein of Epidermal Growth Factor Receptor (EGFR) using in silico docking studies.

Materials and Methods: The identification of compounds was done by GC-MS analysis. The in silico docking studies were carried out using Discovery Studio 4.0 software.

Results: The GC-MS analysis of ethanol leaf extract revealed the presence of eleven compounds. The docking analysis have exhibited moderate to potent inhibition with a range of dock score 3 to 55. 2H-Benzo(cd) pyrene-2,6(1,H)-dione, 3,5,7,10-tetrahydroxy-compound showed the dock score of 55.427.

Conclusion: The results revealed out that the compounds present in Calophyllum inophyllum can inhibit the EGFR protein. The plant possesses anticancer potential because of the various bioactive compounds presence which is mainly responsible for anticancer activity.

 


Keywords


Calophyllum inophyllum, Gas chromatography-mass spectrometry analysis, In silico, Epidermal growth factor receptor protein, Discovery Studio.

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About this article

Title

IN SILICO DOCKING ANALYSIS OF BIOACTIVE COMPOUNDS FROM CALOPHYLLUM INOPHYLLUM L. ETHANOL LEAF EXTRACT AGAINST EGFR PROTEIN

Keywords

Calophyllum inophyllum, Gas chromatography-mass spectrometry analysis, In silico, Epidermal growth factor receptor protein, Discovery Studio.

DOI

10.22159/ajpcr.2017.v10i8.18972

Date

01-08-2017

Additional Links

Manuscript Submission

Journal

Asian Journal of Pharmaceutical and Clinical Research
Vol 10 Issue 8 August 2017 Page: 214-219

Print ISSN

0974-2441

Online ISSN

2455-3891

Statistics

264 Views | 136 Downloads

Authors & Affiliations

Jaikumar K
P.G & Research Department of Botany, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, Tamil Nadu, India.
India

Sheik Noor Mohamed
P.G & Research Department of Botany, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, Tamil Nadu, India.
India

John Wyson W
P.G & Research Department of Botany, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, Tamil Nadu, India.
India

Deventhiran M
P.G & Research Department of Botany, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, Tamil Nadu, India.
India

Babu A
P.G & Research Department of Botany, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, Tamil Nadu, India.
India

Anand D
P.G & Research Department of Botany, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, Tamil Nadu, India.
India

Saravanan P
P.G & Research Department of Botany, Ramakrishna Mission Vivekananda College, Mylapore, Chennai - 600 004, Tamil Nadu, India.
India


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