Insights into Binding of Potential Antitumor Quinoxaline Analogues against Cyclin Dependent Kinase 2 Using Docking Studies
Arun Kumar V.A., Keshav Mohan
Journal Title:Journal of Chemical, Biological and physical sciences
Cyclin-dependent kinases (CDKs) belongs to a family of protein kinases and CDK2 consideredas
potential anti-cancer target among CDKs. A CDK2 inhibitor is a chemical that inhibits the function
of CDKsand preventsover proliferation of cancer cells thus used to treat cancers. Quinoxaline and its
derivatives are an important class of benzoheterocycles displaying a broad spectrum of biological
activities which have made them privileged structures in pharmacologically active compounds.
Modification in their structure has offered a high degree of diversity that has proven useful for
the development of new therapeutic agents having improved potency and lesser toxicity. In the
present work, attempts were made to identify leading quinoxaline moieties as candidate drugs against
CDK2 by carrying out docking experiments with our in-house synthetic 46 analogues and assigning
docking scores. Ten moieties with docking score -5 or above were zoomed in as candidate moieties.
Structural features of the above quinoxaline analogues will be presented with a view to arrive at
potential drug target for CDK2.