Computer-Aided Drug Design: An Innovative Tool for Modeling

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DOI: 10.4236/ojmc.2012.24017    27,268 Downloads   42,545 Views  Citations

ABSTRACT

Strategies for CADD vary depending on the extent of structural and other information available regarding the target (enzyme/receptor) and the ligands. Computer-aided drug design (CADD) is an exciting and diverse discipline where various aspects of applied and basic research merge and stimulate each other. In the early stage of a drug discovery process, researchers may be faced with little or no structure activity relationship (SAR) information. The process by which a new drug is brought to market stage is referred to by a number of names most commonly as the development chain or “pipeline” and consists of a number of distinct stages. To design a rational drug, we must firstly find out which proteins can be the drug targets in pathogenesis. In present review we reported a brief history of CADD, DNA as target, receptor theory, structure optimization, structure-based drug design, virtual high-throughput screening (vHTS), graph machines.

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P. Kore, M. Mutha, R. Antre, R. Oswal and S. Kshirsagar, "Computer-Aided Drug Design: An Innovative Tool for Modeling," Open Journal of Medicinal Chemistry, Vol. 2 No. 4, 2012, pp. 139-148. doi: 10.4236/ojmc.2012.24017.
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