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Volumn 27, Issue 4, 2013, Pages 1357-1376

The value of selected in vitro and in silico methods to predict acute oral toxicity in a regulatory context: Results from the European Project ACuteTox

(23)  Prieto, P a   Kinsner Ovaskainen, A a   Stanzel, S b   Albella, B c   Artursson, P d   Campillo, N e   Cecchelli, R f,g   Cerrato, L c   Diaz L h   Di Consiglio, E i   Guerra, A e   Gombau, L j   Herrera, G h   Honegger, P k   Landry, C f,g   O'Connor, J E h   Paez J A e   Quintas, G j   Svensson, R d   Turco, L i   more..

c CIEMAT   (Spain)

Author keywords

Acute oral toxicity; Classification and regression trees; Concentration response analysis; In vitro; Random Forests; Testing strategy

Indexed keywords

3 (4,5 DIMETHYL 2 THIAZOLYL) 2,5 DIPHENYLTETRAZOLIUM BROMIDE; CYTOKINE; NEUTRAL RED; OCTANOL; URIDINE; WATER;

EID: 84876730407     PISSN: 08872333     EISSN: 18793177     Source Type: Journal    
DOI: 10.1016/j.tiv.2012.07.013     Document Type: Article
Times cited : (37)

References (48)
  • 2
    • 34848847390 scopus 로고    scopus 로고
    • Anon, Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH)
    • establishing a European Chemicals Agency, amending Directive 1999/45/EC and repealing Council Regulation (EEC) No. 793/93 and Commission Regulation (EC) No. 1488/94 as well as Council Directive 76/769/EEC and Commission Directives 91/155/EEC, 93/67/EEC, 93/105/EC and 2000/21/EC.
    • Anon, 2006a. Regulation (EC) No 1907/2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), establishing a European Chemicals Agency, amending Directive 1999/45/EC and repealing Council Regulation (EEC) No. 793/93 and Commission Regulation (EC) No. 1488/94 as well as Council Directive 76/769/EEC and Commission Directives 91/155/EEC, 93/67/EEC, 93/105/EC and 2000/21/EC.
    • (2006)
  • 3
    • 84931260817 scopus 로고    scopus 로고
    • Anon,Background Review Document (BRD): Validation of Neutral Red Uptake Test Methods NIH/In Vitro Cytotoxicity Test Methods for Estimating Acute Oral Systemic Toxicity
    • Publication No. 07-4518, November, 2006
    • Anon, 2006b. Background Review Document (BRD): Validation of Neutral Red Uptake Test Methods NIH/In Vitro Cytotoxicity Test Methods for Estimating Acute Oral Systemic Toxicity. Publication No. 07-4518, November, 2006, http://iccvam.niehs.nih.gov/methods/acutetox/inv_nru_brd.htm.
    • (2006)
  • 4
    • 84875737537 scopus 로고    scopus 로고
    • Anon, Regulation (EC) No. 1272/2008 on classification, labelling and packaging of substances and mixtures
    • Amending and repealing directives 67/548/EEC and 1999/45/EC, and amending Regulation (EC) No. 1907/2006 (REACH).
    • Anon, 2008a. Regulation (EC) No. 1272/2008 on classification, labelling and packaging of substances and mixtures, amending and repealing directives 67/548/EEC and 1999/45/EC, and amending Regulation (EC) No. 1907/2006 (REACH).
    • (2008)
  • 5
    • 84876705047 scopus 로고    scopus 로고
    • Anon, Regulation (EC) No. 1336/2008 amending Regulation (EC) No. 648/2004 in order to adapt it to Regulation (EC) No. 1272/2008 on classification
    • labelling and packaging of substances and mixtures.
    • Anon, 2008b. Regulation (EC) No. 1336/2008 amending Regulation (EC) No. 648/2004 in order to adapt it to Regulation (EC) No. 1272/2008 on classification, labelling and packaging of substances and mixtures.
    • (2008)
  • 6
    • 84876732463 scopus 로고    scopus 로고
    • Anon, Regulation (EC) No. 1223/2009 on cosmetic products.
    • Anon, 2009. Regulation (EC) No. 1223/2009 on cosmetic products.
    • (2009)
  • 7
    • 80053021153 scopus 로고    scopus 로고
    • Anon, Sixth Report on the Statistics on the Number of Animals used for Experimental and other Scientific Purposes in the Member States of the European Union
    • Anon, 2010. Sixth Report on the Statistics on the Number of Animals used for Experimental and other Scientific Purposes in the Member States of the European Union http://eurlex.europa.eu/LexUriServ/LexUriServ.do?uri=COM:2010:0511:FIN:EN:PDF.
    • (2010)
  • 8
    • 33748636018 scopus 로고    scopus 로고
    • Introduction to in vitro estimation of metabolic stability and drug interactions of new chemical entities in drug discovery and development
    • Baranczewski P., Stańczak A., Sundberg K., Svensson R., Wallin A., Jansson J., Garberg P., Postlind H. Introduction to in vitro estimation of metabolic stability and drug interactions of new chemical entities in drug discovery and development. Pharmacol. Rep. 2006, 58(4):453-472.
    • (2006) Pharmacol. Rep. , vol.58 , Issue.4 , pp. 453-472
    • Baranczewski, P.1    Stańczak, A.2    Sundberg, K.3    Svensson, R.4    Wallin, A.5    Jansson, J.6    Garberg, P.7    Postlind, H.8
  • 10
    • 58749111973 scopus 로고    scopus 로고
    • Estimation of acute oral toxicity using the no observed adverse effect level (NOAEL) from the 28 day repeated dose toxicity studies in rats
    • Bulgheroni A., Kinsner-Ovaskainen A., Hoffmann S., Hartung T., Prieto P. Estimation of acute oral toxicity using the no observed adverse effect level (NOAEL) from the 28 day repeated dose toxicity studies in rats. RegulToxicolPharmacol. 2009, 53(1):16-19.
    • (2009) RegulToxicolPharmacol. , vol.53 , Issue.1 , pp. 16-19
    • Bulgheroni, A.1    Kinsner-Ovaskainen, A.2    Hoffmann, S.3    Hartung, T.4    Prieto, P.5
  • 11
    • 0032865119 scopus 로고    scopus 로고
    • Overview of the final MEIC results: I. The in vitro-in vitro evaluation
    • Clemedson C., Ekwall B. Overview of the final MEIC results: I. The in vitro-in vitro evaluation. Toxicol. In Vitro 1999, 13(4-5):657-663.
    • (1999) Toxicol. In Vitro , vol.13 , Issue.4-5 , pp. 657-663
    • Clemedson, C.1    Ekwall, B.2
  • 12
    • 67449097468 scopus 로고    scopus 로고
    • In vitro sensitivity of granulo-monocytic progenitors as a new toxicological cell system and endpoint in the acutetox project
    • Cerrato L., Valeri A., Bueren J.A., Albella B. In vitro sensitivity of granulo-monocytic progenitors as a new toxicological cell system and endpoint in the acutetox project. Toxicol. Appl. Pharmacol. 2009, 238:111-119.
    • (2009) Toxicol. Appl. Pharmacol. , vol.238 , pp. 111-119
    • Cerrato, L.1    Valeri, A.2    Bueren, J.A.3    Albella, B.4
  • 16
    • 74949109725 scopus 로고    scopus 로고
    • Assessment of pyrogenic contaminations with validated human whole-blood assay
    • Daneshian M., von Aulock S., Hartung T. Assessment of pyrogenic contaminations with validated human whole-blood assay. Nat. Protoc. 2009, 4(12):1709-1721.
    • (2009) Nat. Protoc. , vol.4 , Issue.12 , pp. 1709-1721
    • Daneshian, M.1    von Aulock, S.2    Hartung, T.3
  • 17
    • 84876706007 scopus 로고    scopus 로고
    • DB-ALM database. ECVAM database service on alternative methods to animal experimentation.
    • DB-ALM database. ECVAM database service on alternative methods to animal experimentation. <>. http://ihcp.jrc.ec.europa.eu/our_databases/db-alm.
  • 19
    • 20944432074 scopus 로고    scopus 로고
    • MEIC evaluation of acute systemic toxicity: Part V. Rodent and human toxicity data for the 50 reference chemicals
    • Ekwall B., Clemedson C., Crafoord B., Ekwall B., Hallander S., Walum E., Bondesson I. MEIC evaluation of acute systemic toxicity: Part V. Rodent and human toxicity data for the 50 reference chemicals. Alt. Lab. Anim. 1998, 26:571-616.
    • (1998) Alt. Lab. Anim. , vol.26 , pp. 571-616
    • Ekwall, B.1    Clemedson, C.2    Crafoord, B.3    Ekwall, B.4    Hallander, S.5    Walum, E.6    Bondesson, I.7
  • 20
    • 0032839104 scopus 로고    scopus 로고
    • Overview of the final MEIC results: II. The in vitro-in vivo evaluation, including the selection of a practical battery of cell tests for prediction of acute lethal blood concentrations in humans
    • Ekwall B. Overview of the final MEIC results: II. The in vitro-in vivo evaluation, including the selection of a practical battery of cell tests for prediction of acute lethal blood concentrations in humans. Toxicol. In Vitro 1999, 13(4-5):665-673.
    • (1999) Toxicol. In Vitro , vol.13 , Issue.4-5 , pp. 665-673
    • Ekwall, B.1
  • 22
    • 54949121773 scopus 로고    scopus 로고
    • Artificial neural networks in ADMET modeling: prediction of blood-brain barrier permeation. QSAR and combinatorial science
    • Guerra A., Paez J.A., Campillo N.E. Artificial neural networks in ADMET modeling: prediction of blood-brain barrier permeation. QSAR and combinatorial science. QSAR Comb. Sci. 2008, 27(5):586-594.
    • (2008) QSAR Comb. Sci. , vol.27 , Issue.5 , pp. 586-594
    • Guerra, A.1    Paez, J.A.2    Campillo, N.E.3
  • 23
    • 76049101784 scopus 로고    scopus 로고
    • Neural computational prediction of oral drug absorption based on CODES 2D descriptors
    • Guerra A., Campillo N.E., Páez J.A. Neural computational prediction of oral drug absorption based on CODES 2D descriptors. Eur. J. Med. Chem. 2010, 45:930-940.
    • (2010) Eur. J. Med. Chem. , vol.45 , pp. 930-940
    • Guerra, A.1    Campillo, N.E.2    Páez, J.A.3
  • 24
    • 0038245040 scopus 로고    scopus 로고
    • The registry of cytotoxicity: toxicity testing in cell cultures to predict acute toxicity (LD50) and to reduce testing in animals
    • Halle W. The registry of cytotoxicity: toxicity testing in cell cultures to predict acute toxicity (LD50) and to reduce testing in animals. Alt. Lab. Anim. 2003, 31:89-198.
    • (2003) Alt. Lab. Anim. , vol.31 , pp. 89-198
    • Halle, W.1
  • 25
    • 0003684449 scopus 로고    scopus 로고
    • The Elements of Statistical Learning - Data Mining, Inference and Prediction, second ed.
    • Springer, New York.
    • Hastie, T., Tibshirani, R., Friedman, J., 2009. The Elements of Statistical Learning - Data Mining, Inference and Prediction, second ed. Springer, New York.
    • (2009)
    • Hastie, T.1    Tibshirani, R.2    Friedman, J.3
  • 26
    • 79959511702 scopus 로고    scopus 로고
    • Acute oral toxicity: variability, reliability, relevance and interspecies comparison of rodent LD50 data from literature surveyed for the ACuteTox project
    • Hoffmann S., Kinsner-Ovaskainen A., Prieto P., Mangelsdorf I., Bieler C., Cole T. Acute oral toxicity: variability, reliability, relevance and interspecies comparison of rodent LD50 data from literature surveyed for the ACuteTox project. RegulToxicolPharmacol. 2010, 58(3):395-407.
    • (2010) RegulToxicolPharmacol. , vol.58 , Issue.3 , pp. 395-407
    • Hoffmann, S.1    Kinsner-Ovaskainen, A.2    Prieto, P.3    Mangelsdorf, I.4    Bieler, C.5    Cole, T.6
  • 27
    • 80052924481 scopus 로고    scopus 로고
    • Preparation, maintenance, and use of serum-free aggregating brain cell cultures
    • Honegger P., Defaux A., Monnet-Tschudi F., Zurich M.G. Preparation, maintenance, and use of serum-free aggregating brain cell cultures. Methods Mol. Biol. 2011, 758:81-97.
    • (2011) Methods Mol. Biol. , vol.758 , pp. 81-97
    • Honegger, P.1    Defaux, A.2    Monnet-Tschudi, F.3    Zurich, M.G.4
  • 29
    • 0028342648 scopus 로고
    • Utility of in vitro drug metabolism data in predicting in vivo metabolic clearance
    • Houston J.B. Utility of in vitro drug metabolism data in predicting in vivo metabolic clearance. Biochem. Pharmacol. 1994, 47(9):1469-1479.
    • (1994) Biochem. Pharmacol. , vol.47 , Issue.9 , pp. 1469-1479
    • Houston, J.B.1
  • 30
    • 38449084547 scopus 로고    scopus 로고
    • Determination of drug permeability and prediction of drug absorption in Caco-2 monolayers
    • Hubatsch I., Ragnarsson E.G., Artursson P. Determination of drug permeability and prediction of drug absorption in Caco-2 monolayers. Nat. Protoc. 2007, 2(9):2111-2119.
    • (2007) Nat. Protoc. , vol.2 , Issue.9 , pp. 2111-2119
    • Hubatsch, I.1    Ragnarsson, E.G.2    Artursson, P.3
  • 32
    • 84876716058 scopus 로고    scopus 로고
    • Selection of in vitro and in silico assays to be included in a tiered testing strategy to predict acute oral toxicity: an approach based on extended statistical analysis of data obtained in phase 1 of the ACuteTox project
    • Kinsner-Ovaskainen A., Prieto P., Stanzel S., Kopp-Schneider A. Selection of in vitro and in silico assays to be included in a tiered testing strategy to predict acute oral toxicity: an approach based on extended statistical analysis of data obtained in phase 1 of the ACuteTox project. Toxicol. In Vitro 2013, 27(4):1377-1394.
    • (2013) Toxicol. In Vitro , vol.27 , Issue.4 , pp. 1377-1394
    • Kinsner-Ovaskainen, A.1    Prieto, P.2    Stanzel, S.3    Kopp-Schneider, A.4
  • 33
    • 84876704161 scopus 로고    scopus 로고
    • Design of a testing strategy using non-animal based methods: lessons learnt from the ACuteTox project
    • Kopp-Schneider A., Kinsner-Ovaskainen A., Prieto P., Stanzel S. Design of a testing strategy using non-animal based methods: lessons learnt from the ACuteTox project. Toxicol. In Vitro 2013, 27(4):1395-1401.
    • (2013) Toxicol. In Vitro , vol.27 , Issue.4 , pp. 1395-1401
    • Kopp-Schneider, A.1    Kinsner-Ovaskainen, A.2    Prieto, P.3    Stanzel, S.4
  • 34
    • 12244309482 scopus 로고    scopus 로고
    • Evaluation and prevalidation of an immunotoxicity test based on human whole-blood cytokine release
    • Langezaal I., Hoffmann S., Hartung T., Coecke S. Evaluation and prevalidation of an immunotoxicity test based on human whole-blood cytokine release. Alt. Lab. Anim. 2002, 30(6):581-595.
    • (2002) Alt. Lab. Anim. , vol.30 , Issue.6 , pp. 581-595
    • Langezaal, I.1    Hoffmann, S.2    Hartung, T.3    Coecke, S.4
  • 35
    • 0035289779 scopus 로고    scopus 로고
    • Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
    • Lipinski C.A., Lombardo F., Dominy B.W., Feeney P.J. Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings. Adv. Drug Delivery Rev. 2001, 46(1-3):3-26.
    • (2001) Adv. Drug Delivery Rev. , vol.46 , Issue.1-3 , pp. 3-26
    • Lipinski, C.A.1    Lombardo, F.2    Dominy, B.W.3    Feeney, P.J.4
  • 36
    • 0021061819 scopus 로고
    • Rapid colorimetric assay for cellular growth and survival: application to proliferation and cytotoxicity assays
    • Mosmann T. Rapid colorimetric assay for cellular growth and survival: application to proliferation and cytotoxicity assays. J. Immunol. Methods 1983, 65(1-2):55-63.
    • (1983) J. Immunol. Methods , vol.65 , Issue.1-2 , pp. 55-63
    • Mosmann, T.1
  • 37
    • 35448992316 scopus 로고    scopus 로고
    • Organisation for Economic Cooperation and Development (OECD)
    • Guideline for Testing of Chemicals, 420, Acute Oral Toxicity - Fixed Dose Method. Paris, France
    • Organisation for Economic Cooperation and Development (OECD), 2001a. Guideline for Testing of Chemicals, 420, Acute Oral Toxicity - Fixed Dose Method. Paris, France http://www.oecd.org.
    • (2001)
  • 38
    • 84911293889 scopus 로고    scopus 로고
    • Organisation for Economic Cooperation and Development (OECD)
    • Acute Oral Toxicity - Acute Toxic Class Method. Paris, France
    • Organisation for Economic Cooperation and Development (OECD), 2001b. Guideline for Testing of Chemicals, 423, Acute Oral Toxicity - Acute Toxic Class Method. Paris, France http://www.oecd.org.
    • (2001) Guideline for Testing of Chemicals , vol.423
  • 39
    • 84911293889 scopus 로고    scopus 로고
    • Organisation for Economic Cooperation and Development (OECD)
    • Acute Oral Toxicity - Up-and-Down Procedure. Paris, France
    • Organisation for Economic Cooperation and Development (OECD), 2001c. Guideline for Testing of Chemicals, 425, Acute Oral Toxicity - Up-and-Down Procedure. Paris, France http://www.oecd.org.
    • (2001) Guideline for Testing of Chemicals , vol.425
  • 41
    • 84876732790 scopus 로고    scopus 로고
    • The predictive capacity of the 3T3 Neutral Red Uptake assay to identify substances with acute oral LD50>2000mg/kg
    • 49th Annual Meeting of the Society of Toxicology, (SOT), Salt Lake City, Utah.
    • Prieto, P., Raabe, H., Curren, R., Hilberer, A., Whelan, M., Coecke, S., Gibson, R., Compagnoni, A., Hartung, T., Kinsner-Ovaskainen, A., 2010. The predictive capacity of the 3T3 Neutral Red Uptake assay to identify substances with acute oral LD50>2000mg/kg. 49th Annual Meeting of the Society of Toxicology, (SOT), Salt Lake City, Utah.
    • (2010)
    • Prieto, P.1    Raabe, H.2    Curren, R.3    Hilberer, A.4    Whelan, M.5    Coecke, S.6    Gibson, R.7    Compagnoni, A.8    Hartung, T.9    Kinsner-Ovaskainen, A.10
  • 42
    • 0043134972 scopus 로고    scopus 로고
    • How accurate are the European Union's classifications of chemical substances
    • Rudén C., Hansson S.O. How accurate are the European Union's classifications of chemical substances. Toxicol. Lett. 2003, 144:159-172.
    • (2003) Toxicol. Lett. , vol.144 , pp. 159-172
    • Rudén, C.1    Hansson, S.O.2
  • 43
    • 77955168444 scopus 로고    scopus 로고
    • Cross-sector review of drivers and available 3Rs approaches for acute systemic toxicity testing
    • Seidle T., Robinson S., Holmes T., Creton S., Prieto P., Scheel J., Chlebus M. Cross-sector review of drivers and available 3Rs approaches for acute systemic toxicity testing. Toxicol. Sci. 2010, 116(2):382-396.
    • (2010) Toxicol. Sci. , vol.116 , Issue.2 , pp. 382-396
    • Seidle, T.1    Robinson, S.2    Holmes, T.3    Creton, S.4    Prieto, P.5    Scheel, J.6    Chlebus, M.7
  • 44
    • 44749094190 scopus 로고    scopus 로고
    • Estimation of human blood LC50 values for use in modeling of in vitro-in vivo data of the ACuteTox project
    • Sjöström M., Kolman A., Clemedson C., Clothier R. Estimation of human blood LC50 values for use in modeling of in vitro-in vivo data of the ACuteTox project. Toxicol. In Vitro 2008, 22:1405-1411.
    • (2008) Toxicol. In Vitro , vol.22 , pp. 1405-1411
    • Sjöström, M.1    Kolman, A.2    Clemedson, C.3    Clothier, R.4
  • 45
    • 57349163499 scopus 로고    scopus 로고
    • Neutral red uptake cytotoxicity tests for estimating starting doses for acute oral toxicity tests
    • Stokes W.S., Casati S., Strickland J., Paris M. Neutral red uptake cytotoxicity tests for estimating starting doses for acute oral toxicity tests. Curr. Protocol. Toxicol. Unit 2008, 20(4):1-20.
    • (2008) Curr. Protocol. Toxicol. Unit , vol.20 , Issue.4 , pp. 1-20
    • Stokes, W.S.1    Casati, S.2    Strickland, J.3    Paris, M.4
  • 46
    • 84876701147 scopus 로고    scopus 로고
    • TSAR, version 3.3, Oxford Molecular Limited, Accelryc Inc.
    • TSAR, version 3.3, Oxford Molecular Limited, Accelryc Inc. http://www.accelrys.com.
  • 47
    • 55749099657 scopus 로고    scopus 로고
    • Validation of a rapid equilibrium dialysis approach for the measurement of plasma protein binding
    • Waters N.J., Jones R., Williams G., Sohal B. Validation of a rapid equilibrium dialysis approach for the measurement of plasma protein binding. J. Pharm. Sci. 2008, 97(10):4586-4595.
    • (2008) J. Pharm. Sci. , vol.97 , Issue.10 , pp. 4586-4595
    • Waters, N.J.1    Jones, R.2    Williams, G.3    Sohal, B.4
  • 48
    • 84876726626 scopus 로고    scopus 로고
    • Use of aggregating brain cell cultures for the detection of organ-specific toxicity
    • Zurich M.G., Stanzel S., Kopp-Schneider A., Prieto P., Honegger P. Use of aggregating brain cell cultures for the detection of organ-specific toxicity. Toxicol. In Vitro 2013, 27(4):1416-1424.
    • (2013) Toxicol. In Vitro , vol.27 , Issue.4 , pp. 1416-1424
    • Zurich, M.G.1    Stanzel, S.2    Kopp-Schneider, A.3    Prieto, P.4    Honegger, P.5


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