Conventional drug design embraces the "one gene, one drug, one disease" philosophy. Nowadays, new generation of anticancer drugs, able to inhibit more than one pathway, is believed to play a major role in contemporary anticancer drug research. In this way, polypharmacology, focusing on multi-target drugs, has emerged as a new paradigm in drug discovery. A number of recent successful drugs have ...

92 Published By: Blue Eyes Intelligence Engineering & Sciences Publication Pvt. Ltd.  Abstract— Genetic algorithms, can be used to solve NP-hard problems in various domains, including computer-aided drug design (CADD). As design & development of a drug molecule takes a number of man years and is also an expensive process, use of computer-aided techniques could help to reduce the time required ...

Computational approaches are an integral part of interdisciplinary drug discovery research. Understanding the science behind computational tools, their opportunities, and limitations is essential to make a true impact on drug discovery at different levels. If applied in a scientifically meaningful way, computational methods improve the ability to identify and evaluate potential drug molecules, ...

Computer-aided drug design is a signiicant component of the rational approach to pharmaceutical drug design. Chemists now consider the geometric and chemical characteristics of molecules early in the design process in an eeort to quickly identify ligands that have good chances of becoming potent pharmaceutical drugs. Computer assistance is not only helpful but also necessary to narrow down the ...