Structural & Molecular Biology

Drug Designing

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Drug designing is an inventive process of finding new medication based on the target knowledge. A drug is commonly a small compound which produces a therapeutic effect. There are different methods of drug designing. Designing a drug based on the three dimensional structure and computational techniques are known as structure based drug design and computer aided drug design respectively. There are various stages involved in computer aided drug design such as hit identification, hit to lead optimization and lead optimization. In structure based drug design, the structure is obtained either through x-ray crystallography or NMR spectroscopy. Ligand-based drug design depends on the knowledge of molecules that bind to the biological target of our interest. Correlation between calculated and theoretical can be derived and this QSAR relationship is used to derive analogs.