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

被引:165
作者
Mestres, Jordi [1 ]
Gregori-Puigjane, Elisabet [1 ]
Valverde, Sergi [2 ,3 ]
Sole, Ricard V. [2 ,4 ]
机构
[1] Inst Municipal Invest Med, Res Unit Biomed Informat, Chemogenom Lab, E-08003 Barcelona, Spain
[2] Univ Pompeu Fabra, Complex Syst Lab, Barcelona, Catalonia, Spain
[3] Univ Toulouse 3, CNRS, UMR, F-31062 Toulouse, France
[4] Santa Fe Inst, Santa Fe, NM USA
关键词
IN-SILICO PHARMACOLOGY; LIGAND-BASED APPROACH; DISCOVERY; BINDING; SPACE;
D O I
10.1039/b905821b
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页码:1051 / 1057
页数:7
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