Rational drug design typically involves several steps: 1. Identification of the Target: The first step is identifying the enzyme or receptor involved in the disease pathway. 2. Understanding the Structure: Using techniques like X-ray crystallography or NMR spectroscopy, researchers determine the three-dimensional structure of the target. 3. Designing the Inhibitor or Activator: Based on the structure, computational tools are used to design molecules that can bind to the target, either inhibiting or activating its catalytic function. 4. Synthesis and Testing: The designed molecules are synthesized and tested in vitro and in vivo to assess their effectiveness and safety.
