Lead Optimization in the Drug Discovery Process

Discovering a new drug molecule against disease is the main objective of drug discovery. Lead optimization is one of the important steps and acts as a starting point. Over the years, it has significantly changed the drug discovery process. Its main focus is the development of preclinical candidates from “Hit” or “Lead.” Lead optimization comprises lead selection and optimization, drug candidate confirmation, and preclinical drug characterization. Lead optimization process can improve the effectiveness towards its target potency, selectivity, protein binding, pharmacokinetic parameters, and to develop a good preclinical candidate. Lead optimization from high-throughput screening to identification of clinical drug candidate is a seamless process that draws new techniques for accelerated synthesis, purification, screening from iterative compound libraries, validation, and to deliver clinical drug candidate with limited human resources. In conclusion, lead optimization phase is done under the suggestion that the optimized lead molecule will have activity against a particular disease.

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