The topology of drug–target interaction networks: implicit dependence on drug properties and target families

Jordi Mestres; Elisabet Gregori-Puigjané; Sergi Valverde; Ricard V. Solé

doi:10.1039/B905821B

The topology of drug–target interaction networks: implicit dependence on drug properties and target families

Jordi Mestres,*^a Elisabet Gregori-Puigjané,^a Sergi Valverde^b^c and Ricard V. Solé^b^d

* Corresponding authors

^a Chemogenomics Laboratory, Research Unit on Biomedical Informatics, Institut Municipal d’Investigació Mèdica, Parc de Recerca Biomèdica, Doctor Aiguader 88, Catalonia, Spain
E-mail: jmestres@imim.es
Fax: +34-93-3160550
Tel: +34-93-3160540

^b Complex Systems Laboratory, Universitat Pompeu Fabra, Barcelona, Catalonia, Spain

^c CNRS-UMR, Université Paul Sabatier, Toulouse, France

^d Santa Fe Institute, NM, USA

Abstract

The availability of interaction data between small molecule drugs and protein targets has increased substantially in recent years. Using seven different databases, we were able to assemble a total of 4767 unique interactions between 802 drugs and 480 targets, which means that on average every drug is currently acknowledged to interact with 6 targets. The application of network theory to the analysis of these data reveals an unexpectedly complex picture of drug–target interactions. The results confirm that the topology of drug–target networks depends implicitly on data completeness, drug properties, and target families. The implications for drug discovery are discussed.

This article is part of the themed collections: Emerging investigators and Molecular BioSystems Top Cited Papers 2009 and 2010

Supplementary files

Publication details

The article was received on 23 Mar 2009, accepted on 26 May 2009 and first published on 08 Jul 2009

Article type: Paper

DOI: 10.1039/B905821B

Citation: Mol. BioSyst., 2009,5, 1051-1057

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The topology of drug–target interaction networks: implicit dependence on drug properties and target families

J. Mestres, E. Gregori-Puigjané, S. Valverde and R. V. Solé, Mol. BioSyst., 2009, 5, 1051
DOI: 10.1039/B905821B
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Molecular BioSystems

The topology of drug–target interaction networks: implicit dependence on drug properties and target families

Abstract

Supplementary files

Publication details

The topology of drug–target interaction networks: implicit dependence on drug properties and target families

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