Design and Synthesis of Bioactive Molecules

The design and synthesis of bioactive molecules involve creating compounds with specific biological functions, such as drugs, pesticides, or enzyme inhibitors. It begins with understanding the biological target, such as a protein, receptor, or enzyme, and designing molecules that interact selectively with it. Structure-based drug design (SBDD) uses computational tools to model target structures and predict binding affinities. Functional group modifications, like adding hydrophobic or hydrophilic groups, optimize pharmacokinetics, such as absorption and metabolism. Researchers use medicinal chemistry techniques to refine lead compounds, enhancing potency and reducing side effects. Strategies like scaffold hopping or fragment-based drug discovery (FBDD) are employed to identify and develop novel bioactive scaffolds. Chemical synthesis enables the preparation of derivatives to test biological activity. This area is essential for drug discovery, improving existing therapies, and creating molecules for diagnostic and therapeutic applications.

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