Bioinformatics and Systems Biology Approaches for Identification and Characterization of Plant Based Molecules as Potential Inhibitor of PI3K mTOR p53Mdm2 Module Involved in Neoplastic Transformation

Abstract

Cancer is signified by uncontrolled growth and irregular differentiation of cells. Molecular level analysis reveals the disruption of different pathways during the oncogenic conditions. PBK,AKT,mTOR,p53Mdm2 module is one of the pathways amongst them which are frequently reported for disruption in different cancer types. Development of drug targeting this pathway is attracted by different groups. Natural compounds derived from different sources reported to possess anticancerous activities and some of the lead compounds successfully completed their journey from clinical trials to FDA approval of drugs newlineComputational approaches such as systems biology has emerged as a potential way for studying biological processes over the last decade. Systems biology has the potential to address several important issues that arise in drug discovery such as interaction between the drug, the target and the system as a whole, possible side effects and possible outcomes of drug toxicity. newlineHere in this study, we performed enzyme kinetic analysis to PI3K,mTOR,p53Mdm2 pathway and targeted potential receptors using systems biological approach by mimicking the cell and understanding the behavior of different proteins in drugging condition. We performed in silico analysis for exploring the potential plant derived natural compounds that can be served as anticancerous drug with least toxicity by comparing with reference drug approved by Food and Drug Administration. newlineOur results suggested that PI3K, p53Mdm2 proteins are the ideal receptors for targeting cancer while mTOR inhibition resulted in overexpression of different transcription factors responsible for growth and development in oncogenic cells. Compounds obtained from in silico analysis may be served as potential anticancerous drug for treating different cancer types. newline newline