TARGETTING THE 3BGQ - PIM1 KINASE INTERACTION WITH A SERIES OF NOVEL DITHIOCARBAMATE SUBSTITUTED 2-OXOINDOLE DERIVATIVES- IN SILICO STUDIES

Objective: Cancer is the major cause of mortality in most developing countries. Enormous chemotherapeutic agents developed are still need improvements survival rates and quality life for cancer patients. Pro-viral Integration site Moloney murine leukemia virus (PIM1) a family serine/threonine kinase, regulated by calcium/calmudulin have been identified as unique molecular target oncogenesis. PIM1 has significant role cell cycle regulation, survival, apoptosis, cellular senescence, drug resistance it emerging potential biomarker number human malignancies. Today many interesting inhibitors few withdrawn from phase1 2 clinical trials, due to lack bioavailability toxicity. Hence purpose present study develop more potent less toxic compounds. Material Method: A series novel 2-oxindoles with dithiocarbamates were designed inhibitors. All molecules subjected Molsoft, Molinspiration, Swiss ADME pkCSM predict their properties which important candidate. Further, order find binding affinity kinase protein rationalize anticancer activity, docking was performed. Result Discussion: Results revealed that all compounds fulfilled criteria good oral bioavailability, low toxicity inhibitory activities. them docked into active AutoDock Vina software. In conclusion, according energy values, compound 16 24 showed equivalent dock score -9.7 kcal/mol comparable previously reported AZ1208 SGI 1776. This finding will help researchers design better treatment cancer.