Integrated testing and assessment approaches for skin sensitization: A commentary

Journal of Applied Toxicology

Volumn 34, Issue 4, 2014, Pages 436-440

  Roberts, David W ^a   Patlewicz, Grace Y ^b  

^a LIVERPOOL JOHN MOORES UNIVERSITY   (United Kingdom)

^b DUPONT COMPANY   (United States)

Author keywords

Bayesian; Chemical reactivity; Hyodrophobicity; Kinetics; Mechanism base modeling

Indexed keywords

MALEIC ANHYDRIDE; PHTHALIC ANHYDRIDE; TRIMELLITIC ANHYDRIDE;

ARTICLE; BAYESIAN INTEGRATED TESTING STRATEGY; BIOAVAILABILITY; CHEMICAL MODEL; CHEMICAL REACTION; HYDROPHOBICITY; INTERMETHOD COMPARISON; ORGANIC CHEMISTRY; PHYSICAL CHEMISTRY; PREDICTION; PREDICTIVE VALUE; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; QUANTITATIVE MECHANISTIC MODELING; SKIN SENSITIZATION; SKIN TEST;

BAYESIAN; CHEMICAL REACTIVITY; HYODROPHOBICITY; KINETICS; MECHANISM-BASE MODELING;

BAYES THEOREM; DERMATITIS, ALLERGIC CONTACT; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; KINETICS; MALEIC ANHYDRIDES; MODELS, CHEMICAL; PHTHALIC ANHYDRIDES; RISK ASSESSMENT; SKIN TESTS;

EID: 84893703556     PISSN: 0260437X     EISSN: 10991263     Source Type: Journal    
DOI: 10.1002/jat.2943     Document Type: Article

References (19)

1. Alenius H, Roberts DW, Tokura Y, Lauerma A, Patlewicz G, Roberts MS. 2008. Skin, Drug and Chemical Reactions. DDT: Dis. Mech. 5: e211-e220.
2. Api AM, Basketter DA, Cadby PA, Cano MF, Ellis G, Gerberick GF, Griem P, McNamee PM, Ryan CA, Safford R. 2008. Dermal sensitization quantitative risk assessment (QRA) for fragrance ingredients. Reg. Toxicol. Pharmacol. 52: 3-23.
3. Basketter DA, Clewell H, Kimber I, Rossi A, Blaauboer B, Burrier R, Daneshian M, Eskes C, Goldberg A, Hasiwa N, Hoffmann S, Jaworska J, Knudsen TB, Landsiedel R, Leist M, Locke P, Maxwell G, McKim J, McVey EA, Ouédraogo G, Patlewicz G, Pelkonen O, Roggen E, Rovida C, Ruhdel I, Schwarz M, Schepky A, Schoeters G, Skinner N, Trentz K, Turner M, Vanparys P, Yager J, Zurlo J, Hartung T. 2012. A roadmap for the development of alternative (non-animal) methods for systemic toxicity testing - t4 report*. ALTEX 29: 3-91.
4. Collander, R. 1947. On lipid solubility. Acta Physiol. Scand. 13: 363-381.
5. Dearman RJ, Mitchell JA, Basketter DA, Kimber I. 1991. Differential ability of occupational chemical contact and respiratory allergens to cause immediate and delayed dermal hypersensitivity reactions in mice. Int. Arch. Allergy Immunol. 95: 70-76.
6. Dmuchovsky B, Vineyard BD, Zienty FB. 1964. The Mechanism of the Base-Catalyzed Addition of Thiols to Maleic Anhydride. J. Am. Chem. Soc. 86: 2874-2877.
7. Jaworska J, Harol A, Kern PS, Gerberick GF. 2011. Integrating non-animal test information into an adaptive testing strategy - skin sensitization proof of concept case. ALTEX 28: 211-225.
8. Jaworska J, Dancik Y, Kern P, Gerberick, F, Natsch A. 2013. Bayesian integrated testing strategy to assess skin sensitization potency: from theory to practice. J. Appl. Toxicol. DOI: 10.1002/jat.2869
9. Natsch A, Haupt T, Laue H. 2011. Relating skin sensitizing potency to chemical reactivity: Reactive Michael acceptors inhibit NF-κB signaling and are less sensitizing than SNAr- and SN2-reactive chemicals. Chem. Res. Toxicol. 24: 2018-2027.
10. Natsch A, Ryan CA, Foertsch L, Emter R, Jaworska J, Gerberick F, Kern P. 2013. A dataset on 145 chemicals tested in alternative assays for skin sensitization undergoing prevalidation. J. Appl. Toxicol. DOI: 10.1002/jat.2868
11. OECD. 2012. AOP for Skin Sensitization Series on Testing and Assessment No. 168, Part 1 and Part 2. OECD: Paris.
12. Patlewicz G, Mekenyan O, Dimitrova G, Kuseva C, Todorov M, Kotov S, Stoeva S, Donner EM. 2010. Can mutagenicity information be useful in an Integrated Testing Strategy (ITS) for skin sensitization? SAR QSAR Env. Res. 21: 619-656.
13. Roberts DW, Aptula AO, Patlewicz G. 2006. Mechanistic Applicability Domains for Non-Animal Based Prediction of Toxicological Endpoints. QSAR Analysis of the Schiff Base Applicability Domain for Skin Sensitization. Chem. Res. Toxicol. 19: 1228-1233.
14. Roberts DW, Aptula AO, Patlewicz G. 2007. Electrophilic Chemistry Related to Skin Sensitization. Reaction Mechanistic Applicability Domain Classification for a Published Data Set of 106 Chemicals Tested in the Mouse Local Lymph Node. Chem. Res. Toxicol. 20: 44-60.
15. Roberts DW, Aptula AO. 2008. Determinants of skin sensitization potential. J. Appl. Toxicol. 28: 377-387.
16. Roberts DW, Aptula AO, Patlewicz G, Pease C. 2008. Chemical Reactivity Indices and Mechanism-based read across for non-animal based assessment of skin sensitization potential. J. Appl. Toxicol. 28: 443-454.
17. Roberts, DW, Natsch, A. 2009. High throughput kinetic profiling approach for covalent binding to peptides: Application to skin sensitization potency of Michael acceptor electrophiles. Chem. Res. Toxicol. 22: 592-603.
18. Roberts DW, Patlewicz G. 2009. Chemistry based non-animal predictive modeling for skin sensitization. In Ecotoxicology Modeling, Devillers J (ed.). Springer: New York; 61-83.
19. Roberts DW, Patlewicz GY. 2010. Updating the Skin Sensitization in Vitro Data Assessment Paradigm in 2009 - a chemistry and QSAR perspective. J. Appl. Toxicol. 30: 286-288.