Abstract

REVIEW ON: COMPUTER AIDED DRUG DESIGN IN DRUG DEVELOPMENT AND RESEARCH

*Manoj Kr Yadav, Piyush Yadav, Pankaj Maurya, Shivanand Yadav and Prashant Yadav

ABSTRACT

Computer based method can help in discovery of leads and can potentially eliminate chemical synthesis and screening of many irrelevant compounds, and in this way, it save time as well as cost. Molecular modeling systems are powerful tools for building, visualizing, analyzing and storing models of complex molecular structure that can help to interpretate structure activity relationship. The use of various techniques of molecular mechanics and dynamics and software in Computer aided drug design along with statistics analysis is powerful tool for the medicinal chemistry to synthesis therapeutic and effective drugs with minimum side effect. Drug discovery is a process aiming at identifying compound useful in curing Certain disease by interacting with certain biological target molecule. Since it may take years to develop a new drug that can be introduced into the market, the process of drug discovery is a tedious, time consuming one. This led to the introduction of computer aided drug design (CADD) technologies in the field of drug discovery, as CADD enables the pharmaceutical researcher to reduce the number of compounds to be synthesized and tested and reduce up to 50% in the cost of drug design as well; also it increases the probability of design of compounds with acceptable biological activity. Advances in computational techniques and hardware solutions have enabled in silico methods to speed up lead optimization and identification.

Keywords: Drug discovery, Computer aided drug design, Docking, Homology modelling, QSAR.