Computational Drug Repurposing: Current Trends

Current Medicinal Chemistry
Berin Karaman, Wolfgang Sippl

Abstract

Biomedical discovery has been reshaped upon the exploding digitization of data which can be retrieved from a number of sources, ranging from clinical pharmacology to cheminformatics-driven databases. Now, supercomputing platforms and publicly available resources such as biological, physicochemical, and clinical data, can all be integrated to construct a detailed map of signaling pathways and drug mechanisms of action in relation to drug candidates. Recent advancements in computer-aided data mining have facilitated analyses of 'big data' approaches and the discovery of new indications for pre-existing drugs has been accelerated. Linking gene-phenotype associations to predict novel drug-disease signatures or incorporating molecular structure information of drugs and protein targets with other kinds of data derived from systems biology provide great potential to accelerate drug discovery and improve the success of drug repurposing attempts. In this review, we highlight commonly used computational drug repurposing strategies, including bioinformatics and cheminformatics tools, to integrate large-scale data emerging from the systems biology, and consider both the challenges and opportunities of using this approach. Moreover, we prov...Continue Reading

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Citations

Nov 14, 2019·Current Medicinal Chemistry·Sureyya Olgen
Apr 1, 2020·International Journal of Molecular Sciences·Mehdi MoustaqilEmma Sierecki
Jul 21, 2020·Journal of Biomolecular Structure & Dynamics·Mahmoud A A IbrahimMohamed-Elamir F Hegazy
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Oct 4, 2020·Journal of Translational Medicine·Ghazale FahimianReza H Sajedi
Nov 4, 2020·Journal of Personalized Medicine·Marta Ávalos-MorenoSergio Granados-Principal
Apr 13, 2021·Computational and Structural Biotechnology Journal·Sugandh KumarAnshuman Dixit
Aug 19, 2021·Cell Death and Differentiation·Marcello AllegrettiEmanuele Nicastri

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