title: Computational Drug Repositioning by Target Hopping: A Use Case in Chagas Disease.
abstract: 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.
  
  
  
  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.
authors.forename: V Joachim
authors.initials: VJ
authors.lastname: Haupt
authors.forename: Jesús E
authors.initials: JE
authors.lastname: Aguilar Uvalle
authors.forename: Sebastian
authors.initials: S
authors.lastname: Salentin
authors.forename: Simone
authors.initials: S
authors.lastname: Daminelli
authors.forename: Franziska
authors.initials: F
authors.lastname: Leonhardt
authors.forename: Janez
authors.initials: J
authors.lastname: Konc
authors.affiliation: BIOTEC, TU Dresden, Tatzberg 47/49, 01307 Dresden, Germany. ms@biotec.tu-dresden.de.
authors.forename: Michael
authors.initials: M
authors.lastname: Schroeder
mesh_terms: D000465:Algorithms; D014355:Chagas Disease / Q000188:drug therapy* / Q000378:metabolism; D058492:Drug Repositioning; D006801:Humans; D008958:Models, Molecular; D011106:Polyisoprenyl Phosphates / Q000037:antagonists & inhibitors / Q000378:metabolism; D012717:Sesquiterpenes / Q000037:antagonists & inhibitors / Q000378:metabolism; D014344:Trypanocidal Agents / Q000737:chemistry / Q000494:pharmacology*; D014349:Trypanosoma cruzi / Q000187:drug effects* / Q000201:enzymology
chemical_list: D011106:Polyisoprenyl Phosphates; D012717:Sesquiterpenes; D014344:Trypanocidal Agents; C004808:farnesyl pyrophosphate