A ligand-based approach to mining the chemogenomic space of drugs

被引：82

作者：

Gregori-Puigjane, Elisabet

Mestres, Jordi ^{[1
]}

机构：

[1] Inst Municipal Invest Med, Chemotargets SL & Chemogenom Lab, Res Unit Biomed Informat, E-08003 Barcelona, Catalonia, Spain

来源：

COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING | 2008年 / 11卷 / 08期

关键词：

chemogenomics; off-target profiling; drug repurposing; network pharmacology; virtual screening;

D O I：

10.2174/138620708785739952

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

The practical implementation and validation of a ligand-based approach to mining the chemogenomic space of drugs is presented and applied to the in silico target profiling of 767 drugs against 684 targets of therapeutic relevance. The results reveal that drugs targeting aminergic G protein-coupled receptors (GPCRs) show the most promiscuous pharmacological profiles. The detection of cross-pharmacologies between aminergic GPCRs and the opioid, sigma, NMDA, and 5-HT3 receptors aggravate the potential promiscuity of those drugs, predominantly including analgesics, antidepressants, and antipsychotics.

引用

页码：669 / 676

页数：8

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