High-Throughput and In Silico Screening in Drug Discovery

Abstract

The process of drug discovery involves multiple branches of science. Discovery of novel molecule with biological modulation activity is a time-consuming and expensive process. High-throughput and in silico tools can reduce time and cost in drug discovery. The aim of high-throughput screening is to identify bioactive molecule from large compound collection and further development of active compounds to leads. There are two types of assay in high-throughput drug discovery: biochemical- and cell-based assays. Choice of assay depends on nature of target and assay feasibilities. Assay method should detect active compound from chemical library. Assay optimization and validation steps reduce false-positive and false-negative results. The assay results must be statistically validated to ensure reliability of results. The good assay design and implementation will give optimal results.In silico tools in drug discovery facilitate hit identification, hit to lead development, and optimization of druggability (improvement absorption, distribution, metabolism, excretion, and toxicity properties). High-throughput and in silico screening can be streamlined for hit identification and lead development. Streamlining of these methods reduces cost and time of drug discovery process. The wise use of these high-throughput methods can lead to discovery of drug with good potency and low toxicity profile.