EUR 23844 EN -
2009
Development of structural alerts for the in vivo micronucleus assay in
rodents
Romualdo Benigni a , Cecilia Bossa a , Olga Tcheremenskaia a
and Andrew Worth
b a
Istituto Superiore di Sanita’, Environment and Health Department,Rome, Italy b Institute for Health & Consumer Protection, European Commission -Joint Rearch Centre, Ispra, Italy
The mission of the IHCP is to provide scientific support to the development and implementation of EU policies related to health and consumer protection.
The IHCP carries out rearch to improve the understanding of potential health risks pod by chemical, physical and biological agents from various sources to which consumers are expod.
European Commission
Joint Rearch Centre
Institute for Health and Consumer Protection
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uropa.eu/qsar/
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JRC 52274
EUR23844 EN
ISSN 1018-5593
Luxembourg: Office for Official Publications of the European Communities
© European Communities, 2009
Reproduction is authorid provided the source is acknowledged
Printed in Italy
ABSTRACT
In vivo mutagenicity and carcinogenicity studies are posing a high demand for test-related resources.
Among the studies, the micronucleus test in rodents is the most widely ud, as follow up to positive in vitro mutagenicity results. A recent survey of the (Q)SAR models for mutagenicity and carcinogenicity has indicated that no (Q)SAR models for in vivo micronucleus are available in the public domain. Therefore, the development and extensive u of estimation techniques such as (Q)SARs, read-across and grouping of chemicals, promis to have a huge animal saving potential for this endpoint. In this report, we describe the identification of structural alerts for the in vivo micronucleus assay, and provide the list of underlying chemical structures. The structural alerts provide a coar-grain filter for the preliminary screening of potential in vivo mutagens.
LIST OF ABBREVIATIONS
EPA Environmental Protection Agency
EU European Union
FDA Food and Drug Administration
HOMO Highest Occupied Molecular Orbital闪电的宽度
ISS Istituto Superiore di Sanita’
JRC Joint Rearch Centre
LUMO Lowest Unccupied Molecular Orbital
OECD Organisation for Economic Cooperation and Development
(Q)SAR(Quantitative)Structure-Activity Relationship
REACH Registration Evaluation and Authorisation of CHemicals
ROC Receiver Operating Curve
梦到洗脸
补血食物SA Structural Alert
SA_BB Benigni-Bossa structural alerts for mutagnicity /carcinogenicity in Toxtree
SA_Mic Structural alerts refers for the in vivo micronucleus assay in
Toxtree
SA_Prot Structural alerts for protein binding in the OECD QSAR Toolbox
CONTENTS
1.Introduction (6)
2.Structural alerts (8)
3.Development of structural alerts for the in vivo micronucleus assay (10)
4. Final considerations (20)
5.References (21)
Appendix 1 (23)
