In Silico Approaches In Carcinogenicity Hazard Assessment: Current Status and Future Needs

Autor: Frank Bringezu, Phillip Bellion, Alexander Amberg, Jeffrey M. Birmingham, Alejandra Trejo-Martin, Glenn J. Myatt, Amy L. Mihalchik-Burhans, Amarjit Luniwal, Naomi L. Kruhlak, Rosalie K. Elespuru, Karen H. Watanabe-Sailor, Louise Neilson, Lidia Ceriani, Markus Frericks, Alessandro Brigo, John P. Rooney, Arun R. Pandiri, Helga Gerets, Alice Luu, Arianna Bassan, Angela White, Marc A. Beal, Federica Madia, Manuela Pavan, David Faulkner, Lennart T. Anger, Elena Lo Piparo, Marie C. Fortin, Jordi Mestres, Ian Crooks, David Woolley, Raymond R. Tice, Paul Fowler, Balasubramanian Manickam, David R. Jones, Cynthia V. Rider, Serena Manganelli, Juan Lopez-Belmonte, Gloria D. Jahnke, Kevin P. Cross, Romualdo Benigni

Publikováno v: Comput Toxicol

Historically, identifying carcinogens has relied primarily on tumor studies in rodents, which require enormous resources in both money and time. In silico models have been developed for predicting rodent carcinogens but have not yet found general reg

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::de085dd3094d276c69682e6dfe5bb402
https://europepmc.org/articles/PMC8967183/

A cross-industry collaboration to assess if acute oral toxicity (Q)SAR models are fit-for-purpose for GHS classification and labelling

Autor: Colin Owens, Jessica C. Graham, Russell Naven, Glenn J. Myatt, Joel P. Bercu, Raymond Kemper, Iris van de Gevel, Surya Hari Lal, Kathleen Vriens, Melisa Masuda-Herrera, Phillip Bellion, Alejandra Trejo-Martin, Sarah Whalley, Lawrence Milchak, Richard L. Marchese Robinson, Anna Vuorinen, Catrin Hasselgren, Pierre Ferrer, William A. Hawkins, Matthew Schmitz, Kamila Gromek, Jean Lord

Publikováno v: Regul Toxicol Pharmacol

This study assesses whether currently available acute oral toxicity (AOT) in silico models, provided by the widely employed Leadscope software, are fit-for-purpose for categorization and labelling of chemicals. As part of this study, a large data set

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::964e311259d8ebd3de6475fb86827f15
https://pubmed.ncbi.nlm.nih.gov/35474000

In silico toxicology protocols

Autor: Kyle P. Glover, Yumi Akahori, Michelle O. Kenyon, David Jones, Angela White, Patricia Ruiz, Dave Bower, Mark Powley, Janet Moser, Naomi L. Kruhlak, Diana Suarez-Rodriguez, Laura Custer, Chia Wen Hsu, Masamitsu Honma, Joel P. Bercu, Steve Gutsell, Krista L. Dobo, Bernhard Majer, Andrew Teasdale, Lidiya Stavitskaya, Aynur O. Aptula, Barry Hardy, Candice Y. Johnson, Scott S. Auerbach, Nichola Gellatly, Rositsa Serafimova, David Allen, Samantha E. Gad-McDonald, Alessandro Brigo, Lennart T. Anger, Kevin P. Cross, Pete Watts, Louise Neilson, Wendy Simpson, Jedd Hillegass, Véronique Gervais, Penny Leavitt, Jui-Hua Hsieh, Kristine L. Witt, Reinhard Stidl, Magdalena Dettwiler, K. Hughes, Romualdo Benigni, Lisa Beilke, Marlene T. Kim, Scott A. Masten, Adam Woolley, Phillip Bellion, Kevin A. Ford, David T. Szabo, Alexander Amberg, Anna Vuorinen, Brian A. Wall, Mark T. D. Cronin, Marie C. Fortin, Zoryana Cammerer, Benoît Schilter, Glenn J. Myatt, Klaus Kümmerer, Ernst Ahlberg, Grace Patlewicz, M. Vijayaraj Reddy, Craig Zwickl, Donald P. Quigley, David Woolley, Tudor I. Oprea, Jacky Van Gompel, Ewan D. Booth, Alexandre Paulino, Wolfgang Muster, Sunil Kulkarni, Alejandra Trejo-Martin, Moiz Mumtaz, Andrea Richarz, Joerg Wichard, James Harvey, Susanne Glowienke, Elena Lo Piparo, Natalie Burden, Catrin Hasselgren, Jean Pierre Valentin, Robert A. Jolly, Scott Miller, Ray Kemper

Publikováno v: Myatt, G J, Ahlberg, E, Akahori, Y, Allen, D, Amberg, A, Anger, L T, Aptula, A, Auerbach, S, Beilke, L, Bellion, P, Benigni, R, Bercu, J, Booth, E D, Bower, D, Brigo, A, Burden, N, Cammerer, Z, Cronin, M T D, Cross, K P, Custer, L, Dettwiler, M, Dobo, K, Ford, K A, Fortin, M C, Gad-McDonald, S E, Gellatly, N, Gervais, V, Glover, K P, Glowienke, S, Van Gompel, J, Gutsell, S, Hardy, B, Harvey, J S, Hillegass, J, Honma, M, Hsieh, J H, Hsu, C W, Hughes, K, Johnson, C, Jolly, R, Jones, D, Kemper, R, Kenyon, M O, Kim, M T, Kruhlak, N L, Kulkarni, S A, Kümmerer, K, Leavitt, P, Majer, B, Masten, S, Miller, S, Moser, J, Mumtaz, M, Muster, W, Neilson, L, Oprea, T I, Patlewicz, G, Paulino, A, Lo Piparo, E, Powley, M, Quigley, D P, Reddy, M V, Richarz, A N, Ruiz, P, Schilter, B, Serafimova, R, Simpson, W, Stavitskaya, L, Stidl, R, Suarez-Rodriguez, D, Szabo, D T, Teasdale, A, Trejo-Martin, A, Valentin, J P, Vuorinen, A, Wall, B A, Watts, P, White, A T, Wichard, J, Witt, K L, Woolley, A, Woolley, D, Zwickl, C & Hasselgren, C 2018, ' In silico toxicology protocols ' Regulatory toxicology and pharmacology : RTP, vol 96, pp. 1-17 . DOI: 10.1016/j.yrtph.2018.04.014
Myatt, G J, Ahlberg, E, Akahori, Y, Allen, D, Amberg, A, Anger, L T, Aptula, A, Auerbach, S, Beilke, L, Bellion, P, Benigni, R, Bercu, J, Booth, E D, Bower, D, Brigo, A, Burden, N, Cammerer, Z, Cronin, M T D, Cross, K P, Custer, L, Dettwiler, M, Dobo, K, Ford, K A, Fortin, M C, Gad-McDonald, S E, Gellatly, N, Gervais, V, Glover, K P, Glowienke, S, Van Gompel, J, Gutsell, S, Hardy, B, Harvey, J S, Hillegass, J, Honma, M, Hsieh, J H, Hsu, C W, Hughes, K, Johnson, C, Jolly, R, Jones, D, Kemper, R, Kenyon, M O, Kim, M T, Kruhlak, N L, Kulkarni, S A, Kümmerer, K, Leavitt, P, Majer, B, Masten, S, Miller, S, Moser, J, Mumtaz, M, Muster, W, Neilson, L, Oprea, T I, Patlewicz, G, Paulino, A, Lo Piparo, E, Powley, M, Quigley, D P, Reddy, M V, Richarz, A N, Ruiz, P, Schilter, B, Serafimova, R, Simpson, W, Stavitskaya, L, Stidl, R, Suarez-Rodriguez, D, Szabo, D T, Teasdale, A, Trejo-Martin, A, Valentin, J P, Vuorinen, A, Wall, B A, Watts, P, White, A T, Wichard, J, Witt, K L, Woolley, A, Woolley, D, Zwickl, C & Hasselgren, C 2018, ' In silico toxicology protocols ', Regulatory toxicology and pharmacology : RTP, vol. 96, pp. 1-17 . https://doi.org/10.1016/j.yrtph.2018.04.014

The present publication surveys several applications of in silico (i.e., computational) toxicology approaches across different industries and institutions. It highlights the need to develop standardized protocols when conducting toxicity-related pred

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e30474fda768266769a029d23592f910
https://doi.org/10.1016/j.yrtph.2018.04.014

Genetic toxicology in silico protocol

Autor: Markus Frericks, Franck Atienzar, Nichola Gellatly, Candice Y. Johnson, Lisa Beilke, Alessandro Brigo, Laura Custer, Brian A. Wall, Dave Bower, Penny Leavitt, Angela White, Helga Gerets, Ray Kemper, Krista L. Dobo, David Jones, Naomi L. Kruhlak, Ian Crooks, Tara S. Barton-Maclaren, Craig Zwickl, Mark T. D. Cronin, Kevin P. Cross, Michelle O. Kenyon, Jui-Hua Hsieh, Véronique Gervais, Anna Vuorinen, Andrea-Nicole Richarz, David Faulkner, Zoryana Cammerer, Ronald D. Snyder, Jedd Hillegass, Kristine L. Witt, James Harvey, Alexandre Paulino, Glenn J. Myatt, Phillip Bellion, Romualdo Benigni, Marie C. Fortin, Alexander Amberg, Robert A. Jolly, Ernst Ahlberg, Lidiya Stavitskaya, M. Vijayaray Reddy, Chia-Wen Hsu, Mark Powley, Tatyana Y. Doktorova, Scott Miller, Chandrika Moudgal, Masamitsu Honma, Benoît Schilter, Donald P. Quigley, David Woolley, Raymond R. Tice, Samantha E. Gad-McDonald, Pete Watts, Joerg Wichard, Reinhard Stidl, Joel P. Bercu, Andrew Teasdale, Wolfgang Muster, Catrin Hasselgren, Susanne Glowienke, Elena Lo Piparo, Yumi Akahori, Adam Woolley, Klaus Kümmerer, David T. Szabo, Jacky Van Gompel, Sunil Kulkarni, Alejandra Trejo-Martin, Lennart T. Anger, Scott A. Masten, Kevin A. Ford, Scott S. Auerbach, Ewan D. Booth

Publikováno v: Regul Toxicol Pharmacol
Hasselgren, C, Ahlberg, E, Akahori, Y, Amberg, A, Anger, L T, Atienzar, F, Auerbach, S, Beilke, L, Bellion, P, Benigni, R, Bercu, J, Booth, E D, Bower, D, Brigo, A, Cammerer, Z, Cronin, M T D, Crooks, I, Cross, K P, Custer, L, Dobo, K, Doktorova, T, Faulkner, D, Ford, K A, Fortin, M C, Frericks, M, Gad-McDonald, S E, Gellatly, N, Gerets, H, Gervais, V, Glowienke, S, Van Gompel, J, Harvey, J S, Hillegass, J, Honma, M, Hsieh, J H, Hsu, C W, Barton-Maclaren, T S, Johnson, C, Jolly, R, Jones, D, Kemper, R, Kenyon, M O, Kruhlak, N L, Kulkarni, S A, Kümmerer, K, Leavitt, P, Masten, S, Miller, S, Moudgal, C, Muster, W, Paulino, A, Lo Piparo, E, Powley, M, Quigley, D P, Reddy, M V, Richarz, A N, Schilter, B, Snyder, R D, Stavitskaya, L, Stidl, R, Szabo, D T, Teasdale, A, Tice, R R, Trejo-Martin, A, Vuorinen, A, Wall, B A, Watts, P, White, A T, Wichard, J, Witt, K L, Woolley, A, Woolley, D, Zwickl, C & Myatt, G J 2019, ' Genetic toxicology in silico protocol ', Regulatory Toxicology and Pharmacology, vol. 107, no. 104403, 104403 . https://doi.org/10.1016/j.yrtph.2019.104403

In silico toxicology (IST) approaches to rapidly assess chemical hazard, and usage of such methods is increasing in all applications but especially for regulatory submissions, such as for assessing chemicals under REACH as well as the ICH M7 guidelin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::79c7543ee11579b9576d130b0cc8e19f
https://doi.org/10.1016/j.yrtph.2019.104403

Formation of hydrogen peroxide in cell culture media by apple polyphenols and its effect on antioxidant biomarkers in the colon cell line HT-29

Autor: Christine Janzowski, Helmut Dietrich, Phillip Bellion, Gerhard Eisenbrand, Frank Will, Matthias Baum, Melanie Olk

Publikováno v: Molecular Nutrition & Food Research. 53:1226-1236

Beneficial health effects of diets containing fruits have partly been attributed to polyphenols which display a spectrum of bioactive effects, including antioxidant activity. However, polyphenols can also exert prooxidative effects in vitro. In this

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7c4748b15b0f17a438d0628f9dca346
https://doi.org/10.1002/mnfr.200800456