Objective, Quantitative, Data-Driven Assessment of Chemical Probes

被引：55

作者：

Antolin, Albert A. ^{[1
,2
]}

Tym, Joseph E. ^{[2
]}

Komianou, Angeliki ^{[2
]}

Collins, Ian ^{[1
]}

Workman, Paul ^{[1
]}

Al-Lazikani, Bissan ^{[1
,2
]}

机构：

[1] Inst Canc Res, Canc Res UK Canc Therapeut Unit, Div Canc Therapeut, 15 Cotswold Rd, London SM2 5NG, England

[2] Inst Canc Res, Dept Data Sci, 15 Cotswold Rd, London SM2 5NG, England

来源：

CELL CHEMICAL BIOLOGY | 2018年 / 25卷 / 02期

基金：

英国惠康基金;

关键词：

MEDICINAL CHEMISTRY; TARGET VALIDATION; INHIBITOR; POTENT; KINASE; BIOLOGY;

D O I：

10.1016/j.chembiol.2017.11.004

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：

Chemical probes are essential tools for understanding biological systems and for target validation, yet selecting probes for biomedical research is rarely based on objective assessment of all potential compounds. Here, we describe the Probe Miner: Chemical Probes Objective Assessment resource, capitalizing on the plethora of public medicinal chemistry data to empower quantitative, objective, data-driven evaluation of chemical probes. We assess >1.8 million compounds for their suitability as chemical tools against 2,220 human targets and dissect the biases and limitations encountered. Probe Miner represents a valuable resource to aid the identification of potential chemical probes, particularly when used alongside expert curation.

引用

页码：194 / +

页数：17

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