Structure based drug designing utilizes the information of the three-dimensional structure of the biological target to predict with what affinity and selectivity, the candidate drugs will bind to the target exploiting the interactive graphics and therefore the intuition of a medicinal chemist. This technique additionally uses the construction of homology modeling of the target if in case the experimental structure of the target is not available. Structure-based computational methods continue to enhance the development in the discovery and refinement of therapeutic agents. Many such methods and their applications are delineated. These involve molecular visualization and molecular modeling, docking, fragment methods, 3-D database techniques, and free-energy perturbation. The sector of structure-based drug design is a rapidly growing space in which many achievements have been done in recent years.
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Last date updated on August, 2021