Abstract

Structure-based drug design (SBDD) is a crucial method in modern drug discovery that uses the 3D structures of biomolecules to develop novel drugs. By focusing on the molecular architecture of target proteins, SBDD enables the design of compounds that specifically interact with their targets, enhancing drug potency, selectivity, and reducing potential side effects. This article provides an overview of SBDD, discussing its principles, techniques such as molecular docking and dynamics, applications in various therapeutic areas, and challenges faced in its implementation. The article highlights the transformative role of SBDD in personalized medicine, with a focus on precision, efficiency, and targeted drug development.