Paper Title
High Throughput Virtual Screening and Molecular Dynamics Studies for Rack1 Inhibitor against Small Cell Lung Cancer
Abstract
Lung cancer is a chronic fatal disease and represents in the globe wide due to lack of effective therapeutic medication to cure or extend life expectancy. Small cell lung cancer (SCLC) is a type of cancer related diseases and is estimated around 13% attributed and determined by exposure of tobacco and smoking. Aim of this computational study has been initiated to design the novel inhibitors pertaining to human RACK1 protein, (receptor of activated kinase-1) and the inhibitors were generated with accurate predictability. Such lead compounds were subsequently validated by screening measures to determine its biological activities and its adaptable stability in the systems. The benchmark for virtual screening was also performed to examine the selective RACK1 inhibitors. As a result of virtual screening, the evaluation of lead candidate compounds and appropriate RACK1 inhibitors were identified. Therefore, the findings of the present investigation will be through a light on an innovative strategy for identifying biological adaptable RACK1 inhibitors to control or arrest the proliferation of tumor cells. Molecular Docking and Molecular Dynamics simulation studies were performed to understand the capability of RACK1 inhibitor activity and to explore its high interactive accord or affinity and its stability.
Keywords - RACK1 Inhibitor, High Throughput Virtual Screening, Molecular Dynamics Simulation, Lung Cancer, 3D Models.