Introduction to Drug Design
- BP-S-6-Medicinal Chemistry III
- Mar 29
- 1 min read
Drug design involves discovering or creating therapeutic agents based on a biological target.
It combines chemistry, biology, pharmacology, and computational science to develop safe and effective drugs.
Key Aspects
Target Identification: Selecting a biological molecule for therapeutic modulation.
Lead Discovery: Identifying active compounds from natural sources, screening, or rational design.
Lead Optimization: Enhancing potency, selectivity, and pharmacokinetics (ADME).
Preclinical & Clinical Testing: Assessing efficacy and safety in biological systems and humans.
Rational Drug Design
Traditional drug discovery relied on trial-and-error screening of large chemical libraries.
Modern rational drug design leverages:
Molecular target structures (e.g., proteins),
Structure–activity relationships (SAR) of known ligands,
Computational modeling (e.g., docking, virtual screening),
Physicochemical properties affecting bioavailability and safety.
By integrating these approaches, researchers can design and optimize drug candidates more efficiently, accelerating development.
