Computational Drug Repositioning by Target Hopping: A Use Case in Chagas Disease

Research output: Contribution to journalReview articleContributedpeer-review

Contributors

Abstract

BACKGROUND: Drug repositioning aims to identify novel indications for existing drugs. One approach to repositioning exploits shared binding sites between the drug targets and other proteins. Here, we review the principle and algorithms of such target hopping and illustrate them in Chagas disease, an in Latin America widely spread, but neglected disease.

CONCLUSION: We demonstrate how target hopping recovers known treatments for Chagas disease and predicts novel drugs, such as the antiviral foscarnet, which we predict to target Farnesyl Pyrophosphate Synthase in Trypanosoma cruzi, the causative agent of Chagas disease.

Details

Original languageEnglish
Pages (from-to)3124-34
Number of pages11
JournalCurrent pharmaceutical design
Volume22
Issue number21
Publication statusPublished - 2016
Peer-reviewedYes

External IDs

Scopus 84975749088
ORCID /0000-0003-2848-6949/work/141543372

Keywords

Sustainable Development Goals

Keywords

  • Algorithms, Chagas Disease/drug therapy, Drug Repositioning, Humans, Models, Molecular, Polyisoprenyl Phosphates/antagonists & inhibitors, Sesquiterpenes/antagonists & inhibitors, Trypanocidal Agents/chemistry, Trypanosoma cruzi/drug effects