System Biology Approach to Identify Potential Receptor for Targeting Cancer and Biomolecular Interaction Studies of Indole[2,1-a]Isoquinoline Derivative as Anticancerous Drug Candidate Against it.

Cancer is a public health concern which is spreading throughout the world. Different approaches have been employed to combat this disease. System biology approach has been used to understand the molecular mechanisms of drugs targeting cancer cell's receptor which have opened-up a window to develop effective drugs for it. We have demonstrated biomolecular interaction studies using the rational drug design of indole[2,1-a]isoquinoline derivative as a potent inhibitor against identified cancerous protein PIK3CA -a catalytic sub-unit of PI3K family protein-and compared its affinity with FDA approved drugs for receptors such as dactolisib, idelalisib, and several others such afatinib, avastin, ceritinib and crizotinib, etc.; by docking against potential receptor to set a cutoff value for our screening. Isoquinolines are small alkaloids with a vast variety of substitution depending upon their biogenetic pattern. Isoquinoline derivatives have been reported for their antimalarial, antibacterial, antifungal and anticancerous activities. The results obtained from the present studies conclude that membrane protein is an efficient drug that can be used to target cancer. Moreover, comparative study with ADMET prediction concludes that isoquinoline can be a potent drug for cancer treatment.