Eugenol from Musa acuminate, a potential Antagonist against c-Met: in Non-small cell lungs cancer chemotherapy in silico study. Bioinformatics and Biology insights.
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Date
2018-06-22
Journal Title
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Publisher
International Journal of Current Advanced Research, (IJCAR) India
Abstract
c-Met (Mesenchymal Epithelial Transition) inhibitors are regarded as a kind of novel drugs in the treatment of non-small cell lung cancer (NSCLC).The current FDA-approved c-Met inhibitors which include crizotinib and cabozantinib have been reported to present an adverse effect when used in NSCLC therapy. This ranges from chest pain, unusual bleeding of the nose and mouth, fever and jaundice. In view of this, research is focus on identifying more potent compounds with no adverse effects that can be used in the treatment of NSCLC.
The aim of this study is to out-source from plant sources (musa acuminate) for the best-in-class drug-gable compound via computational tools. For this, twenty-eight (28) chemical compounds (phytochemicals) obtained from musa acuminate and retrieved from literatures were screened for their inhibitory effects on c-Met. Eugenol was the lead compound with a binding energy of -5.7.0kcal/mol. Computational docking analysis was performed using PyRx, AutoDock Vina option based on scoring functions and the target was validated so as to ensure that the right target was used for this analysis. These results indicated that eugenol could be one of the potential ligands to treat NSCLC.
Description
Docking studies and ADMET evaluation of eugenol with c-Met showed that this ligand is a drug-gable molecule which docks well with c-Met target. Therefore, eugenol molecule plays an important role in inhibiting c-Met and thus should be implicated as a potential agent in cancer therapy.
Keywords
c-Met, musa acuminate, Eugenol
Citation
33) George Oche A., Sulaiman A. Faoziyat, Olanrewaju John A., Nwufoh Chika N., Nzikahyel Simon, Adebo Adeola O., Toyin Soyinka., Alakanse Suleiman O. and Seyi Bankole. Eugenol from Musa acuminate, a potential Antagonist against c-Met: in Non-small cell lungs cancer chemotherapy in silico study. Bioinformatics and Biology insights. Published by Villupuram International Journal of Current Advanced Research, (IJCAR) India. ISSN 2319-6505. Manuscript ID BBI-2018-0004. Accepted on the 22nd of June 2018.