Computational Approaches in Drug Repurposing

Abstract

Drug repurposing is a term applied to finding a new therapeutic and pharmacological indication for an existing drug molecule with a known indication. Repurposing existing drugs to treat both rare and widespread ailments is more and more compelling due to the use of less risky compounds, which may result in lower entire development costs and quicker development timelines. This is due to the high attrition rates, high cost, and slow new drug discovery and development pace. The introduction of computational techniques and their advancements in drug design, discovery, and development has provided a platform for scientists to kick-start drug repurposing with ease. Computational approaches have provided rationality in drug repurposing, reducing the chances of failure in drug repurposing attempts. In this chapter, we present techniques for drug repurposing that are both conventional and computational, talk about the difficulties faced by scientists who attempt drug repurposing, and suggest creative solutions to these difficulties to help drug repurposing reach its full potential.