Abstract

Cancer can be described as the uncontrolled growth of abnormal cells. Protein Kinase plays major role in cells signaling to undergo many cellular functions. Many targets for the treatment of cancer cells are available namely stem cells, protein coupled receptors, ErbB receptor, steroid hormones proteases, vascular endothelial growth factors, chemokine receptors and reverse transcriptase/ ribonuclease. The protein-ligand interactions play a significant role in structural based drug designing. In our present research work we have chosen protease, reverse transcriptase and endothelial growth factor as targets to screen our proposed chemical structures for anti-cancer activity. The molecules were docked to the above said targets and the energy values obtained are as follows. Using the docking software. Depending on the energy values we have choosen the best two drug analogs they are Compound C26{ -11.3}, Compound C38 { -9.7} .We tried to improve the binding efficiency and steric compatibility. Several modifications were made to the probable functional groups which are interacting with receptor molecules. Analogs of this drug molecule were prepared using ACD-chem.-sketch and docking. The modified drugs was sketched using chem.-sketch were found to be better than the conventional drugs available.