Review on Drug Design
Year: 2025
Type: article
Abstract: Drug design is a multidisciplinary endeavor focused on the discovery and development of novel therapeutic agents with optimized efficacy, safety, and pharmacokinetic properties. It synthesizes principles from medicinal chemistry, pharmacology, molecular biology, and computational modeling to identify and refine lead compounds. Modern approaches include structure-based drug design (SBDD), which leverages the three-dimensional structures of biological targets, and ligand-based drug design (LBDD), which utilizes the chemical features of known active compounds. Recent advances in computational methods, high-throughput screening, and artificial intelligence have significantly accelerated the processes of lead identification and optimization. Iterative refinement is employed to improve properties such as binding affinity, selectivity, solubility, and metabolic stability, while minimizing off-target effects and toxicity. Ultimately, drug design plays a critical role in bridging the gap between target identification and clinical application, driving the development of innovative therapeutics for a wide range of diseases.
Author: Vanita Katore, Tanishk Kardile*, Shubham Gawali
Language: English
Subfield: Computational Theory and Mathematics
Field: Computer Science
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7083456286
FWCI:
Cites:
Cited by:
Related to: