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Abstract

SYNTHESIS AND MOLECULAR DOCKING STUDIES OF NOVEL BENZIMIDAZOLE DERIVATIVES AS HUMAN CYCLINDEPENDENT KINASE- 2 INHIBITORS

Srikanth Lingala*, Raghunandan Nerella, Sreenivas.Enaganti

ABSTRACT

We report here the synthesis and preliminary evaluation of novel synthetic compounds in vivo and investigation of their anticancer activities by binding to cyclin dependent kinase 2. Cyclin dependent kinases (CDKs) are a family of proteins involved in the regulation of cell cycle progression and attractive targets in oncology. Cyclindependent kinase 2 (CDK2) is a member of a highly conserved family of protein kinases that regulate the eukaryotic cell cycle. Tumorassociated cell cycle defects are often mediated by alterations in cyclin-dependent kinase (CDK) activity. According to current models, mammalian CDKs are essential for driving each cell cycle phase, so therapeutic strategies that block CDK activity are unlikely to selectively target tumor cells. Emerging evidence suggests that tumor cells may also require specific interphase CDKs for proliferation. Thus, selective CDK inhibition may provide therapeutic benefit against certain human neoplasias. The X-ray structures of the CDK2 (PDB ID: 1DI8) were retrieved from protein data bank based on good Resolution (1.90) and Ramachandran’s plot analysis. We have studied the influence of synthetic ligands on the binding of Cyclin-dependent kinase 2 with the help of docking studies by using Accelrys Discovery Studio2.5. The findings obtained in these studies indicate that these compounds could be a potent anti – leukemic agent.

Keywords: Cyclin-dependent kinase 2 (CDK2), synthetic compounds, Leukemia, Anticancer activity.


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