Computational Methods for Drug Repurposing

Rosaria Valentina Rapicavoli; Salvatore Alaimo; Alfredo Ferro; Alfredo Pulvirenti

doi:10.1007/978-3-030-91836-1_7

Computational Methods for Drug Repurposing

Adv Exp Med Biol. 2022:1361:119-141. doi: 10.1007/978-3-030-91836-1_7.

Authors

Rosaria Valentina Rapicavoli^{1

2}, Salvatore Alaimo², Alfredo Ferro², Alfredo Pulvirenti³

Affiliations

¹ Department of Physics and Astronomy, University of Catania, Catania, Italy.
² Department of Clinical and Experimental Medicine, Bioinformatics Unit, University of Catania, Catania, Italy.
³ Department of Clinical and Experimental Medicine, Bioinformatics Unit, University of Catania, Catania, Italy. alfredo.pulvirenti@unict.it.

PMID: 35230686
DOI: 10.1007/978-3-030-91836-1_7

Abstract

The wealth of knowledge and multi-omics data available in drug research has allowed the rise of several computational methods in the drug discovery field, resulting in a novel and exciting strategy called drug repurposing. Drug repurposing consists in finding new applications for existing drugs. Numerous computational methods perform a high-level integration of different knowledge sources to facilitate the discovery of unknown mechanisms. In this chapter, we present a survey of data resources and computational tools available for drug repositioning.

Keywords: 3D structures; Biological pathways; Drug databases; Drug repositioning; Drug-target interaction prediction; Gene expression; Ligand similarity.

MeSH terms

Computational Biology / methods
Drug Discovery* / methods
Drug Repositioning* / methods