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QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines
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 o...
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Published in: | Environmental and molecular mutagenesis 1998, Vol.32 (1), p.75-83 |
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description | 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. Environ. Mol. Mutagen. 32:75–83, 1998 © 1998 Wiley‐Liss, Inc. |
doi_str_mv | 10.1002/(SICI)1098-2280(1998)32:1<75::AID-EM9>3.0.CO;2-A |
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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. Environ. Mol. Mutagen. 32:75–83, 1998 © 1998 Wiley‐Liss, Inc.</description><identifier>ISSN: 0893-6692</identifier><identifier>EISSN: 1098-2280</identifier><identifier>DOI: 10.1002/(SICI)1098-2280(1998)32:1<75::AID-EM9>3.0.CO;2-A</identifier><identifier>PMID: 9707101</identifier><identifier>CODEN: EMMUEG</identifier><language>eng</language><publisher>New York: Wiley Subscription Services, Inc., A Wiley Company</publisher><subject>Amines - chemistry ; Amines - pharmacology ; aromatic amines ; Biological and medical sciences ; Chemical mutagenesis ; chemical similarity ; Heterocyclic Compounds - chemistry ; Heterocyclic Compounds - pharmacology ; mechanisms ; Medical sciences ; mutagenicity ; Mutagens - chemistry ; Mutagens - pharmacology ; QSAR ; structure-activity ; Structure-Activity Relationship ; Toxicology</subject><ispartof>Environmental and molecular mutagenesis, 1998, Vol.32 (1), p.75-83</ispartof><rights>Copyright © 1998 Wiley‐Liss, Inc.</rights><rights>1998 INIST-CNRS</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c5469-e84aae0c274829b80a4e0c194ae3d6807e6129013788aac8fae3c9ebc6de34243</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,4024,27923,27924,27925</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=2357247$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/9707101$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Benigni, Romualdo</creatorcontrib><creatorcontrib>Passerini, Laura</creatorcontrib><creatorcontrib>Gallo, Grazia</creatorcontrib><creatorcontrib>Giorgi, Fabrizio</creatorcontrib><creatorcontrib>Cotta-Ramusino, Marina</creatorcontrib><title>QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines</title><title>Environmental and molecular mutagenesis</title><addtitle>Environ. Mol. Mutagen</addtitle><description>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. Environ. Mol. Mutagen. 32:75–83, 1998 © 1998 Wiley‐Liss, Inc.</description><subject>Amines - chemistry</subject><subject>Amines - pharmacology</subject><subject>aromatic amines</subject><subject>Biological and medical sciences</subject><subject>Chemical mutagenesis</subject><subject>chemical similarity</subject><subject>Heterocyclic Compounds - chemistry</subject><subject>Heterocyclic Compounds - pharmacology</subject><subject>mechanisms</subject><subject>Medical sciences</subject><subject>mutagenicity</subject><subject>Mutagens - chemistry</subject><subject>Mutagens - pharmacology</subject><subject>QSAR</subject><subject>structure-activity</subject><subject>Structure-Activity Relationship</subject><subject>Toxicology</subject><issn>0893-6692</issn><issn>1098-2280</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1998</creationdate><recordtype>article</recordtype><recordid>eNp9kFtv00AQhVcIVNLCT0DyA0Ltg8PevJcUVTKmlEiFAAWKeBlt7HEx-FK8jkr_PWs5CkiVeFrNzNkzZz5CDKNzRil_fnixzJZHjFoTc27oIbPWHAm-YC90sliky1fx6Vt7IuZ0nq2OeZzeI7Od-D6ZUWNFrJTlD8m-9z8oZUxavkf2rKaaUTYjxYeL9GPUdAXWPiq7Pioqn_dVU7VuqNqraI3DDWIbNZvBXWFb5ZFri6jt2n8afdcE8TT5jgP23d9WMEL_iDwoXe3x8fY9IJ9fn37K3sTnq7Nllp7HeSKVjdFI55DmXEvD7dpQJ0PFrHQoCmWoRsW4pUxoY5zLTRn6ucV1rgoUkktxQJ5Nvtd992uDfoAmXIN17VrsNh6YksaoRAfh-0mY9533PZZwHW52_S0wCiN4gBE8jCxhZAkjeBAcGOgEIICHAB4EUMhWwCENlk-2uzfrBoud4ZZ0mD_dzp3PXV32rs0rv5NxkWgux2SrSXZT1Xh7J9b_Ut0NNZbBMZ4cKz_g752j63-C0iL8u3x3BkZdfvuqXn4BLf4ADqK4zg</recordid><startdate>1998</startdate><enddate>1998</enddate><creator>Benigni, Romualdo</creator><creator>Passerini, Laura</creator><creator>Gallo, Grazia</creator><creator>Giorgi, Fabrizio</creator><creator>Cotta-Ramusino, Marina</creator><general>Wiley Subscription Services, Inc., A Wiley Company</general><general>Wiley-Liss</general><scope>BSCLL</scope><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U7</scope><scope>8FD</scope><scope>C1K</scope><scope>FR3</scope><scope>P64</scope><scope>RC3</scope></search><sort><creationdate>1998</creationdate><title>QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines</title><author>Benigni, Romualdo ; Passerini, Laura ; Gallo, Grazia ; Giorgi, Fabrizio ; Cotta-Ramusino, Marina</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c5469-e84aae0c274829b80a4e0c194ae3d6807e6129013788aac8fae3c9ebc6de34243</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1998</creationdate><topic>Amines - chemistry</topic><topic>Amines - pharmacology</topic><topic>aromatic amines</topic><topic>Biological and medical sciences</topic><topic>Chemical mutagenesis</topic><topic>chemical similarity</topic><topic>Heterocyclic Compounds - chemistry</topic><topic>Heterocyclic Compounds - pharmacology</topic><topic>mechanisms</topic><topic>Medical sciences</topic><topic>mutagenicity</topic><topic>Mutagens - chemistry</topic><topic>Mutagens - pharmacology</topic><topic>QSAR</topic><topic>structure-activity</topic><topic>Structure-Activity Relationship</topic><topic>Toxicology</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Benigni, Romualdo</creatorcontrib><creatorcontrib>Passerini, Laura</creatorcontrib><creatorcontrib>Gallo, Grazia</creatorcontrib><creatorcontrib>Giorgi, Fabrizio</creatorcontrib><creatorcontrib>Cotta-Ramusino, Marina</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Toxicology Abstracts</collection><collection>Technology Research Database</collection><collection>Environmental Sciences and Pollution Management</collection><collection>Engineering Research Database</collection><collection>Biotechnology and BioEngineering Abstracts</collection><collection>Genetics Abstracts</collection><jtitle>Environmental and molecular mutagenesis</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Benigni, Romualdo</au><au>Passerini, Laura</au><au>Gallo, Grazia</au><au>Giorgi, Fabrizio</au><au>Cotta-Ramusino, Marina</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines</atitle><jtitle>Environmental and molecular mutagenesis</jtitle><addtitle>Environ. Mol. Mutagen</addtitle><date>1998</date><risdate>1998</risdate><volume>32</volume><issue>1</issue><spage>75</spage><epage>83</epage><pages>75-83</pages><issn>0893-6692</issn><eissn>1098-2280</eissn><coden>EMMUEG</coden><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. Environ. Mol. Mutagen. 32:75–83, 1998 © 1998 Wiley‐Liss, Inc.</abstract><cop>New York</cop><pub>Wiley Subscription Services, Inc., A Wiley Company</pub><pmid>9707101</pmid><doi>10.1002/(SICI)1098-2280(1998)32:1<75::AID-EM9>3.0.CO;2-A</doi><tpages>9</tpages><oa>free_for_read</oa></addata></record> |
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subjects | Amines - chemistry Amines - pharmacology aromatic amines Biological and medical sciences Chemical mutagenesis chemical similarity Heterocyclic Compounds - chemistry Heterocyclic Compounds - pharmacology mechanisms Medical sciences mutagenicity Mutagens - chemistry Mutagens - pharmacology QSAR structure-activity Structure-Activity Relationship Toxicology |
title | QSAR models for discriminating between mutagenic and nonmutagenic aromatic and heteroaromatic amines |
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