Computer aided drug design, though comparatively recent and novel, is still a vast field and covers developments in computer-aided methodologies and their applications in drug discovery.
Molecular Dynamics (MD) and Quantitative Structure Activity Relationships (QSAR) are the most common CADD techniques that are used in drug design.
In the field of drug design, molecular dynamics (MD) is used to study various macromolecules as well as macro-molecule small molecule interactions. This technique provides major information of macromolecular processes.
Quantitative Structure Activity Relationships (QSAR) establishes a mathematical correlation between the chemical structures of a set of compounds as well as their biological activities. Recent developments in the field include technological developments in biochemistry, biomedical science, and nanotechnology which have made computer-aided drug design and delivery systems feasible on a molecular basis.
One of the most authentic and original publications regarding computer aided drug designs is Bentham Science Publishers’ journal “Current Computer-Aided Drug Design” which is an essential reading for all medicinal chemists who wish to be kept informed on all important developments in computer-aided methodologies and their applications in drug discovery. You can log on to http://benthamscience.com/ccadd/ for further details