In silico predictions of genotoxicity for aromatic amines

被引：1

作者：

Bentzien, Jorg ^{[1
]}

Muegge, Ingo ^{[1
]}

机构：

[1] Boehringer Ingelheim Pharmaceut, Struct Res, Dept Med Chem, Ridgefield, CT 06877 USA

来源：

FRONTIERS IN BIOSCIENCE-LANDMARK | 2014年 / 19卷

关键词：

In silico modeling; Ames; Toxicology; Genotoxicity; Mutagenicity; Aromatic Amines; Nitrenium Ion; Crowd-Sourcing; Review; SALMONELLA-MICROSOME TEST; HETEROAROMATIC AMINES; AMES TEST; OXIDIZED METABOLITES; MUTAGENIC POTENCY; NITRENIUM IONS; RELATIVE STABILITIES; EXPERT KNOWLEDGE; 300; CHEMICALS; QSAR APPROACH;

D O I：

10.2741/4233

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：

Insufficient drug safety is one of the major reasons for failure of drug candidates in Phase II and Phase III clinical trials. Determining toxicity early during the drug discovery process can help lower the attrition rate in clinical trials and lead to significant cost savings. In silico approaches can help to prioritize large numbers of compounds quickly and cost effectively in the early phase of drug discovery. One form of toxicity is genotoxicity due to mutagenicity. In this paper different in silico approaches for predicting mutagenicity, in particular in primary aromatic amines, are reviewed.

引用

页码：649 / 661

页数：13

共 69 条

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