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Issue 9, 2009
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The topology of drug–target interaction networks: implicit dependence on drug properties and target families†‡

Jordi Mestres,*a   Elisabet Gregori-Puigjané,a   Sergi Valverdebc  and  Ricard V. Solébd  
Author affiliations

* 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.

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

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Article information

https://doi.org/10.1039/B905821B
Submitted
23 Mar 2009
Accepted
26 May 2009
First published
08 Jul 2009
Mol. BioSyst., 2009,5, 1051-1057
Article type
Paper
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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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