Description & Specifications
|
Computer-aided drug design (CADD) is a widely used technology using computational tools and resources for the storage, management, analysis and modeling of compounds. It relies on digital repositories for study of designing compounds with physicochemical characteristics, predicting whether a given molecule will be combined with the target, and if so how strongly. Computer based methods can help us to search new hits in drug discovery, screen many irrelevant compounds at the same time and study the structure-activity relationship of drug molecules. The traditional strategies for discovering new drug usually begin with taking a lead structure, and then develop a chemical program to find an analog molecule which can exhibit the desired biological properties. The process often involved a long cycle and a large number of experiments, in which medical chemist utilizing their experience and intuition to ultimately select a candidate for further development. The whole process is laborious, expensive and inelegant. Contrary to traditional drug design methods, CADD has been applied as a highly effective tool for systematic assessment of potential lead candidates before they are synthesized and tested. In this way, it saves time as well as cost in drug discovery. |