• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines.

作者信息

Benigni R, Passerini L, Gallo G, Giorgi F, Cotta-Ramusino M

机构信息

Laboratory of Comparative Toxicology and Ecotoxicology, Istituto Superiore di Sanita, Rome, Italy.

出版信息

Environ Mol Mutagen. 1998;32(1):75-83. doi: 10.1002/(sici)1098-2280(1998)32:1<75::aid-em9>3.0.co;2-a.

DOI:10.1002/(sici)1098-2280(1998)32:1<75::aid-em9>3.0.co;2-a
PMID:9707101
Abstract

In a previous article, we demonstrated that the structure-activity relationship model for the mutagenic potency of aromatic amines is different from that for discriminating between mutagens and nonmutagens. In this work, we present further analyses on the molecular determinants of the mutagenicity of aromatic amines. Based on the use of various methodological approaches, our results indicate that mutagenic activity is influenced by different molecular characteristics in different subclasses of aromatic amines. Thus, the general lesson of this article is that 1) in genetic toxicology, it is necessary to separately investigate the structure-activity relationships for discrimination between positive and negative chemicals, and the structure-activity relationships for the potency of the positive chemicals; 2) in structure-activity studies, it is necessary to investigate the degree of homogeneity (congenericity) of apparently similar chemicals in order to assess and describe the various mechanisms of action that may be elicited by the chemicals.

摘要

相似文献

1
QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines.
Environ Mol Mutagen. 1998;32(1):75-83. doi: 10.1002/(sici)1098-2280(1998)32:1<75::aid-em9>3.0.co;2-a.
2
Review of mutagenicity of monocyclic aromatic amines: quantitative structure-activity relationships.单环芳香胺的致突变性综述:定量构效关系
Mutat Res. 1997 Aug;387(1):1-16. doi: 10.1016/s1383-5742(97)00019-7.
3
Quantitative structure-activity (QSAR) relationships of mutagenic aromatic and heterocyclic amines.致突变性芳香胺和杂环胺的定量构效关系
Mutat Res. 1997 May 12;376(1-2):87-96. doi: 10.1016/s0027-5107(97)00029-8.
4
Mechanistic QSAR of aromatic amines: new models for discriminating between homocyclic mutagens and nonmutagens, and validation of models for carcinogens.芳香胺的机理定量构效关系:区分同环诱变剂和非诱变剂的新模型以及致癌物模型的验证
Environ Mol Mutagen. 2007 Dec;48(9):754-71. doi: 10.1002/em.20355.
5
Extended quantitative structure-activity relationships for 80 aromatic and heterocyclic amines: structural, electronic, and hydropathic factors affecting mutagenic potency.80种芳香族和杂环胺的扩展定量构效关系:影响诱变效力的结构、电子和疏水性因素
Environ Mol Mutagen. 2001;38(4):268-91. doi: 10.1002/em.10028.
6
Comparison of QSARs and characterization of structural basis of bioactivity using partial order theory and formal concept analysis: a case study with mutagenicity.运用偏序理论和形式概念分析比较定量构效关系并表征生物活性的结构基础:以致突变性为例的研究
Curr Comput Aided Drug Des. 2011 Jun;7(2):109-21. doi: 10.2174/157340911795677639.
7
QSAR modelling for mutagenic potency of heteroaromatic amines by optimal SMILES-based descriptors.基于最优SMILES描述符的杂环胺致突变活性的定量构效关系建模
Chem Biol Drug Des. 2009 Mar;73(3):301-12. doi: 10.1111/j.1747-0285.2009.00778.x.
8
Relative stabilities of nitrenium ions derived from heterocyclic amine food carcinogens: relationship to mutagenicity.源自杂环胺类食品致癌物的氮鎓离子的相对稳定性:与诱变性的关系。
Chem Biol Interact. 1992 Jan;81(1-2):19-33. doi: 10.1016/0009-2797(92)90024-f.
9
Mutagenic activity of a series of synthetic and naturally occurring heterocyclic amines in Salmonella.一系列合成及天然存在的杂环胺在沙门氏菌中的诱变活性。
Mutat Res. 1992 May 1;279(1):61-73. doi: 10.1016/0165-1218(92)90267-4.
10
A QSAR investigation of the role of hydrophobicity in regulating mutagenicity in the Ames test: 1. Mutagenicity of aromatic and heteroaromatic amines in Salmonella typhimurium TA98 and TA100.一项关于疏水性在艾姆斯试验中调节致突变性作用的定量构效关系研究:1. 芳香胺和杂芳香胺在鼠伤寒沙门氏菌TA98和TA100中的致突变性
Environ Mol Mutagen. 1992;19(1):37-52. doi: 10.1002/em.2850190107.

引用本文的文献

1
Non-Hydroxamate Zinc-Binding Groups as Warheads for Histone Deacetylases.非羟肟酸锌结合基团作为组蛋白去乙酰化酶的弹头。
Molecules. 2021 Aug 25;26(17):5151. doi: 10.3390/molecules26175151.
2
Aryl Piperazinyl Ureas as Inhibitors of Fatty Acid Amide Hydrolase (FAAH) in Rat, Dog, and Primate.芳基哌嗪基脲作为大鼠、犬和灵长类动物中脂肪酸酰胺水解酶(FAAH)的抑制剂
ACS Med Chem Lett. 2012 Aug 22;3(10):823-7. doi: 10.1021/ml300186g. eCollection 2012 Oct 11.
3
An investigation into pharmaceutically relevant mutagenicity data and the influence on Ames predictive potential.
对与药物相关的致突变性数据的调查以及对 Ames 预测潜力的影响。
J Cheminform. 2011 Nov 22;3:51. doi: 10.1186/1758-2946-3-51.
4
Towards a new age of virtual ADME/TOX and multidimensional drug discovery.迈向虚拟药物代谢动力学/药物毒性预测及多维药物发现的新时代。
Mol Divers. 2002;5(4):255-75. doi: 10.1023/a:1021376212320.
5
Towards a new age of virtual ADME/TOX and multidimensional drug discovery.迈向虚拟药物代谢及毒性预测(ADME/TOX)与多维药物发现的新时代。
J Comput Aided Mol Des. 2002 May-Jun;16(5-6):381-401. doi: 10.1023/a:1020816005910.