Rational drug design focuses on creating drugs that specifically target the molecular mechanisms of diseases. By analyzing the structure of biological targets such as enzymes or receptors, researchers can design molecules that interact precisely with these targets. This approach enhances drug efficacy while reducing side effects, making it a cornerstone of modern drug development, especially in cancer, neurodegenerative, and infectious diseases.
Structure-Based Drug Design: Crafting Molecules for Specific Targets
Structure-based drug design uses 3D structural information of biological targets to design new drugs. Techniques like X-ray crystallography and NMR spectroscopy provide detailed target structures, allowing for precise modifications to potential drug candidates. This method has been instrumental in developing treatments for diseases like HIV, cancer, and autoimmune disorders.
Fragment-based drug design (FBDD) involves identifying small molecular fragments that bind weakly to biological targets and combining them to create potent drugs. This approach provides a more efficient way to discover new drug candidates, especially for complex targets where traditional high-throughput screening has been less successful.