Research Articles

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

Vol. 4 No. 3 (2017) 41-45 Published August 9, 2017

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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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Author information

  • Nehla Yahcoob

    Grace College of Pharmacy

  • Baskar Lakshmanan

    Grace College of Pharmacy

  • Jyothi Achuthanandhan

    Grace College of Pharmacy

  • Vijayakumar Balakrishnan

    Grace College of Pharmacy

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Authors retain copyright and grant the journal right of first publication with the work simultaneously licensed under a Creative Commons Attribution License that allows others to share the work with an acknowledgement of the work's authorship and initial publication in this journal.

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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.
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Received
May 25, 2017
Published
August 9, 2017
Section
Research Articles
Pages
41-45

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Keywords

  • Anticancer
  • Quinoxaline
  • C-met Kinase
  • Molecular docking
  • AutoDock

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