In-silico screening of 2,3-diphenylquinozaline derivatives as C-met kinase inhibitors

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Keywords

Anticancer
Quinoxaline
C-met Kinase
Molecular docking
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How to Cite

(1)
Yahcoob, N.; Lakshmanan, B.; Achuthanandhan, J.; Balakrishnan, V. In-Silico Screening of 2,3-Diphenylquinozaline Derivatives As C-Met Kinase Inhibitors. J Pharm Chem 2017, 4 (3), 41-45. https://doi.org/10.14805/jphchem.2017.art84.

Abstract

Quinoxaline, an important class of heterocylic compounds drawn greater attention due to their wide spectrum of biological activities. They are considered as an important chemical scaffold for anticancer drug design  due to their potential inhibitory activity against  C-met tyrosine kinase. C-met kinase inhibitors  are a class of small molecules that having therapeutic potential in  the treatment of various types of cancers. The present study aims to focus on the chemistry of quinoxaline derivatives, their potential activities against C-met tyrosine kinase, and in-silico screening of designed compounds. A series of twelve compounds were designed and docked against C-met tyrosine kinase for their binding energy. All compounds were found to be interacting  well with the protein. Compound NQ1 was found to have good binding energy showing an estimated Ki value of  1.1μm.  SAR  study indicated the presence of an electron withdrawing substitution on  benzilidine  phenyl ring of quinoxaline greatly improves its binding interaction with the protein.
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