Simulation Some Druges on active site Cyclin-dependent kinase 2

Protein kinases, through phosphorylation reactions, are implicated in the regulation of various cellular activities since they belong to the cellular signaling molecules and therefore regulate all the processes that are essential for growth, development and homeostasis of eukaryotic cells. The development of computational methods as an another tool for predicting the properties of chemicals has been a content of intensive study. Among the computational methods, quantitative structure–activity relationships(QSAR) have found distinct exercise for predicting the properties of compounds, including biological activity prediction, physical property prediction and toxicity prediction. In the present study, the in silico was employed for simulation compounds into a protein, cyclin-dependent kinase 2 (PDB ID: 1GIH).

Keywords:

cyclin-dependent kinase , QSAR , computational methods