Computer Aided Drug Design: A Novel Loom To Drug Discovery

Initially, the design of new drugs was based on the prototypical molecule, usually a natural product and making structural modifications. For designing of new drugs the understanding of the etiology of the disease and the structure of the receptor where the ligand (drug) will bind is very much important. Now a day, there is increasing computational power coupled with applicable software, has led to more focused approaches to the development of new drugs [1]. The launch of a new drug to market is a long-term process that costs billions of dollars and the probability of a failure in the drug discovery is high. About 90% of the new drugs entering clinical trials fail to get FDA approval and reach the consumer market [2]. Therefore, computeraided drug discovery (CADD) is a novel tool for drug discovery getting a lot of attention in the pharmaceutical industry. It has immense potential and promise in the drug discovery workflow. This tool not only reduces the costs associated with new drug discovery by ensuring that best possible lead compound for the animal studies. It may also reduce the time to reach the drug to market [3]. It is helpful to identify lead drug compounds, can predict pharmacological actions, possible side effects, and help in improving the bioavailability drug [4]. CADD have the three major roles in drug discovery campaign: