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Topic:structure-based design

structure-based design

Since 2021, aggregated from related topics

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    Structure-based design is a research area in the field of drug discovery that involves using the three-dimensional structure of a target protein to design and optimize small molecule inhibitors or drugs. This approach relies on knowledge of the atomic-level interactions between the target protein and potential ligands, allowing for the rational design of compounds that can specifically bind to the target and modulate its function. Structure-based design can help to accelerate the drug discovery process by providing insights into the mechanisms of action of potential drugs and guiding the development of more effective and selective compounds. This approach is commonly used in computer-aided drug design and relies on techniques such as molecular docking, virtual screening, and structure-activity relationship (SAR) analysis.

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