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Structure-based drug design is a very robust and useful technique. It involves acquisition of the information regarding three-dimensional structure of the molecular target (protein) through methods such as x-ray crystallography, NMR spectroscopy or homology modeling, followed by design of suitable drug candidates based on the binding affinity and selectivity for their target molecules. With the outburst of structural and -omics (e.g. proteomics, genomics, metabolomics) derived data for these protein targets, structure-based drug design has become a very potent and imperative tool for discovering lead compounds which can be optimized to lead towards the development of marketable drug products.
Citation: Agrawal P (2013) Structure-Based Drug Design. J Pharmacovigilance 1:e111.
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