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Binding sites

In the field of drug discovery and design, identifying potential binding sites on target proteins is a crucial step in the development of novel therapeutic agents. These binding sites, often referred to as pockets or cavities, are regions on the protein surface where small molecules, such as drugs or ligands, can interact and form stable complexes. The identification and characterization of these pockets are essential for understanding the function and behavior of proteins, as well as for guiding the design of targeted drug molecules.

  1. Chapter 7 of Rudrapal, M., & Egbuna, C. (Eds.). (2022). Computer aided drug design (CADD): From ligand-based methods to structure-based approaches. Elsevier. ↩

  2. Chapter 2 of Renaud, J.-P. (Eds.). (2020). Structural biology in drug discovery: Methods, techniques, and practices. John Wiley & Sons. ↩