Proteomics in Computer - assisted Molecular Design

Computer-assisted molecular design (CAMD) also called Computer-assisted drug design (CADD) represents more recent applications of computers as tools in the drug design process. The proteome is the entire protein complement expressed by a genome, and proteomics is the study of the proteome. Proteomics is a research field that involves large scale identification, characterization and quantitation of proteins expressed in a cell, tissue, or organism under given conditions. The ultimate goal of proteomic analysis is a comprehensive and quantitative description of protein expression and quantitative description of protein expression and alterations associated with biological perturbations under a given condition. In most current applications of CADD, attempts are made to find a ligand that will interact favorably with a receptor that represents the target site. Binding of ligand to the receptor may include hydrophobic, electrostatic, and hydrogen-bonding interactions. Computational assessment of the binding affinity of enzyme inhibitors prior to synthesis is an important component of CADD paradigms.