| Structural basis of carcinogenicity in rodents of genotoxicants and non-genotoxicants. | |
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MedLine Citation:
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PMID: 2300064 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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A set of 189 chemicals tested in the National Toxicology Program Cancer Bioassay was subjected to analysis by CASE, the Computer-Automated Structure Evaluation system. In the data set, 63% of the chemicals were carcinogens, approx. 40% of the carcinogens were non-genotoxic, i.e., they possessed neither "structural alerts" for DNA reactivity as defined by Ashby and Tennant, 1988, nor were they mutagenic for Salmonella. The data base can be characterized as a "combined rodent" compilation as chemicals were characterized as "carcinogenic" if they were carcinogenic in either rats or mice or both. CASE identified 23 fragments which accounted for the carcinogenicity, or lack thereof, of most of the chemicals. The sensitivity and specificity were unexpectedly high: 1.00 and 0.86, respectively. Based upon the identified biophores and biophobes, CASE performed exceedingly well in predicting the activity of chemicals not included among the 189 in the original set. CASE predicted correctly the carcinogenicity of non-genotoxic carcinogens thereby suggesting a structural commonality in the action of this group of carcinogens. As a matter of fact biophores restricted to non-genotoxic carcinogens were identified as were "non-electrophilic" biophores shared by genotoxic and non-genotoxic carcinogens. The findings suggest that the CASE program may help in the elucidation of the basis of the action of non-genotoxic carcinogens. |
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Authors:
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H S Rosenkranz; G Klopman |
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Publication Detail:
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Type: Comparative Study; Journal Article; Research Support, U.S. Gov't, P.H.S. |
Journal Detail:
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Title: Mutation research Volume: 228 ISSN: 0027-5107 ISO Abbreviation: Mutat. Res. Publication Date: 1990 Feb |
Date Detail:
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Created Date: 1990-03-14 Completed Date: 1990-03-14 Revised Date: 2007-11-14 |
Medline Journal Info:
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Nlm Unique ID: 0400763 Medline TA: Mutat Res Country: NETHERLANDS |
Other Details:
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Languages: eng Pagination: 105-24 Citation Subset: IM |
Affiliation:
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Department of Environmental Health Sciences, Case Western Reserve University, Cleveland, OH 44106. |
Export Citation:
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APA/MLA Format Download EndNote Download BibTex |
| MeSH Terms | |
Descriptor/Qualifier:
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Animals Carcinogens / classification, pharmacology* Expert Systems* Information Systems Mice Mutagens / classification, pharmacology* Rats Structure-Activity Relationship |
| Grant Support | |
ID/Acronym/Agency:
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ES 04659/ES/NIEHS NIH HHS |
| Chemical | |
Reg. No./Substance:
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0/Carcinogens; 0/Mutagens |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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