Computer Aided Drug Designing Approach for Prospective Human Metastatic Cancer

Abstract

Abstract: It is well known that finding new drugs is a difficult, expensive, time-consuming, and expensive project. According to a study, the typical time and cost for developing a new medicine through the conventional drug development pipeline is 12 years and 2.7 billion dollars. The pharmaceutical industry is grappling with the difficult and pressing challenge of how to find new drugs faster and at lower research costs.Insilico,The field of computer-aided drug discovery (CADD) has shown significant promise as an advanced technology for secure, cost-effective, and efficient drug design. In recent times, there has been remarkable progress in computational tools for drug discovery, particularly in the development of anticancer therapies. This progress has had a significant impact on the design of anticancer drugs and has provided valuable insights into the field of cancer treatment. To carry out molecular docking, we utilized AutoDock software and prepared the target protein by loading and converting its PDB file format into a macromolecule. Additionally, the ligand structures underwent energy minimization (EM) and were selected alongside the target proteins in AutoDock. To ensure coverage of the binding site residues, a suitable grid box with appropriate dimensions was chosen