Lead Optimization: Research Pathways in Medicinal Chemistry.
Dibyajyoti Saha, Milan Hait · Asian Journal of Research in Chemistry · 2011
Lead optimization employs a combination of empirical, combinatorial and rational approaches that optimize leads through continuous, multi speed process based on knowledge gained at each stage. The testing of analog series result in quantitative information that correlates changes in chemical structure to biological and pharmacological data generate to established SARs. The medicinal chemistry-lead optimization blends synthetic chemistry, molecular modeling, computational biology, structural genomics and pharmacology to discover and design new drugs and investigate their interaction at the molecular, cellular and whole animal level. The present pathways give mechanism of animal PK/PD/ADMEs highlighting the toxicity, formulation and delivery.