Abstract
The number of three-dimensional (3D) structures of macromolecule/drug targets determined by experimental techniques has risen over the past years. Besides, the development and improvement of bioinformatics methods become an essential tool for the prediction of a good quality 3D model. Such growth is a regulator that makes it possible to use computational approaches in drug discovery programs. Structure-based drug design (SBDD) is a chemical structure design and optimization to find a drug candidate suitable for clinical research. It is focused on understanding the nature of a small molecule and how it coordinates with its biological target. In comparison to the conventional approach, it is an easier and cost-effective lead identification technique that accelerates the drug discovery process. Here, we provide a summary of the SBDD used in the discovery of drugs and highlight recent developments in this area and their limitations.
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