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Review Article

A review of the electrophilic reaction chemistry involved in covalent DNA binding

&
Pages 728-748 | Received 03 Mar 2010, Accepted 14 May 2010, Published online: 20 Aug 2010

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Chin Yee Liew, Chuen Pan, Andre Tan, Ke Xin Magneline Ang & Chun Wei Yap. (2012) QSAR classification of metabolic activation of chemicals into covalently reactive species. Molecular Diversity 16:2, pages 389-400.
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Norbert Staimer, Tran B. Nguyen, Sergey A. Nizkorodov & Ralph J. Delfino. (2012) Glutathione peroxidase inhibitory assay for electrophilic pollutants in diesel exhaust and tobacco smoke. Analytical and Bioanalytical Chemistry 403:2, pages 431-441.
Crossref
S.J. Enoch & M.T.D. Cronin. (2012) Development of new structural alerts suitable for chemical category formation for assigning covalent and non-covalent mechanisms relevant to DNA binding. Mutation Research/Genetic Toxicology and Environmental Mutagenesis 743:1-2, pages 10-19.
Crossref
S J Enoch & D. W. Roberts. 2011. Kinase Drug Discovery. Kinase Drug Discovery 30 43 .
Francisco J. Schopfer, Chiara Cipollina & Bruce A. Freeman. (2011) Formation and Signaling Actions of Electrophilic Lipids. Chemical Reviews 111:10, pages 5997-6021.
Crossref
Paul D. Leeson & Stephen A. St-Gallay. (2011) The influence of the 'organizational factor' on compound quality in drug discovery. Nature Reviews Drug Discovery 10:10, pages 749-765.
Crossref
Steven J. Enoch, Mark T.D. Cronin & Claire M. Ellison. (2011) The Use of a Chemistry-based Profiler for Covalent DNA Binding in the Development of Chemical Categories for Read-across for Genotoxicity. Alternatives to Laboratory Animals 39:2, pages 131-145.
Crossref
Sarah Adler, David Basketter, Stuart Creton, Olavi Pelkonen, Jan van Benthem, Valérie Zuang, Klaus Ejner Andersen, Alexandre Angers-Loustau, Aynur Aptula, Anna Bal-Price, Emilio Benfenati, Ulrike Bernauer, Jos Bessems, Frederic Y. Bois, Alan Boobis, Esther Brandon, Susanne Bremer, Thomas Broschard, Silvia Casati, Sandra Coecke, Raffaella Corvi, Mark Cronin, George Daston, Wolfgang Dekant, Susan Felter, Elise Grignard, Ursula Gundert-Remy, Tuula Heinonen, Ian Kimber, Jos Kleinjans, Hannu Komulainen, Reinhard Kreiling, Joachim Kreysa, Sofia Batista Leite, George Loizou, Gavin Maxwell, Paolo Mazzatorta, Sharon Munn, Stefan Pfuhler, Pascal Phrakonkham, Aldert Piersma, Albrecht Poth, Pilar Prieto, Guillermo Repetto, Vera Rogiers, Greet Schoeters, Michael Schwarz, Rositsa Serafimova, Hanna Tähti, Emanuela Testai, Joost van Delft, Henk van Loveren, Mathieu Vinken, Andrew Worth & José-Manuel Zaldivar. (2011) Alternative (non-animal) methods for cosmetics testing: current status and future prospects—2010. Archives of Toxicology 85:5, pages 367-485.
Crossref
Johannes A. H. Schwöbel, Yana K. Koleva, Steven J. Enoch, Fania Bajot, Mark Hewitt, Judith C. Madden, David W. Roberts, Terry W. Schultz & Mark T. D. Cronin. (2011) Measurement and Estimation of Electrophilic Reactivity for Predictive Toxicology. Chemical Reviews 111:4, pages 2562-2596.
Crossref
Thomas Ferrari, Giuseppina Gini, Nazanin Golbamaki Bakhtyari & Emilio Benfenati. (2011) Mining toxicity structural alerts from SMILES: A new way to derive Structure Activity Relationships. Mining toxicity structural alerts from SMILES: A new way to derive Structure Activity Relationships.

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