Zobrazeno 1 - 10
of 28
pro vyhledávání: '"David J Ponting"'
Autor:
Lorena Ndreu, Josefine Carlsson, David J. Ponting, Ida B. Niklasson, E. Johanna L. Stéen, Lukas McHugh, Niamh M. O’Boyle, Kristina Luthman, Ann-Therese Karlberg, Isabella Karlsson
Publikováno v:
Frontiers in Toxicology, Vol 6 (2024)
BackgroundCinnamic alcohol is a natural compound, widely used in fragrances, which can cause allergic contact dermatitis. Cinnamic alcohol lacks intrinsic reactivity and autoxidation or metabolic activation is necessary for it to act as a sensitizer.
Externí odkaz:
https://doaj.org/article/3a70b102db8b43ccb2651c13464648e5
Autor:
Joerg Schlingemann, Michael J. Burns, David J. Ponting, Carolina Martins Avila, Naiffer E. Romero, Mrunal A. Jaywant, Graham F. Smith, Ian W. Ashworth, Stephanie Simon, Christoph Saal, Andrzej Wilk
Publikováno v:
Journal of Pharmaceutical Sciences. 112:1287-1304
This article reports the outcome of an in silico analysis of more than 12,000 small molecule drugs and drug impurities, identifying the nitrosatable structures, assessing their potential to form nitrosamines under relevant conditions and the challeng
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::da45a3df822dccf8629262f20bfad6a7
https://doi.org/10.1016/j.xphs.2022.11.013
https://doi.org/10.1016/j.xphs.2022.11.013
Autor:
Isabella Karlsson, David J. Ponting, Miguel A. Ortega, Ida B. Niklasson, Lorena Ndreu, E. Johanna L. Stéen, Tina Seifert, Kristina Luthman, Ann-Therese Karlberg
Publikováno v:
Chemical Research in Toxicology. 36:281-290
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2c3b8dabe08b1901ea4568153d8ac7d1
https://doi.org/10.1021/acs.chemrestox.2c00347
https://doi.org/10.1021/acs.chemrestox.2c00347
Publikováno v:
Journal of Medicinal Chemistry. 65:15584-15607
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9579526c03d7a617298035506ef672f8
https://doi.org/10.1021/acs.jmedchem.2c01498
https://doi.org/10.1021/acs.jmedchem.2c01498
Publikováno v:
Chemical Research in Toxicology. 35:1997-2013
The discovery of carcinogenic nitrosamine impurities above the safe limits in pharmaceuticals has led to an urgent need to develop methods for extending structure-activity relationship (SAR) analyses from relatively limited datasets, while the level
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f67cb4333173c396598999df2b9b17c3
https://doi.org/10.1021/acs.chemrestox.2c00199
https://doi.org/10.1021/acs.chemrestox.2c00199
Publikováno v:
Journal of Chemical Information and Modeling.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::68a8a82149284dbe7d119ab6ca62b6cc
https://doi.org/10.1021/acs.jcim.3c00275
https://doi.org/10.1021/acs.jcim.3c00275
Autor:
Niamh M O’Boyle, Ida B Niklasson, David J Ponting, Miguel A Ortega, Tina Seifert, Andreas Natsch, Kristina Luthman, Ann-Therese Karlberg
Publikováno v:
Toxicology and Industrial Health. 38:259-269
We describe a novel nature-derived epoxy resin monomer (ERM) derived from the plant lignan pinoresinol. Epoxy resins are thermosetting materials in global usage owing to their excellent technical properties such as flexibility and durability. However
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3e6042884ed0cd74d459e5d92f1920b2
https://doi.org/10.1177/07482337221089595
https://doi.org/10.1177/07482337221089595
Publikováno v:
Journal of medicinal chemistry. 65(20)
Unexpected metabolism in modification and conjugation phases can lead to the failure of many late-stage drug candidates or even withdrawal of approved drugs. Thus, it is critical to predict the sites of metabolism (SoM) for enzymes, which interact wi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3668ebfb240b7072df41341f05b71c7b
https://pubmed.ncbi.nlm.nih.gov/36239985
https://pubmed.ncbi.nlm.nih.gov/36239985
Autor:
Joel P. Bercu, Melisa Masuda-Herrera, Alejandra Trejo-Martin, Priyanka Sura, Robert Jolly, Michelle Kenyon, Rob Thomas, David J. Ponting, David Snodin, Gregor Tuschl, Stephanie Simon, Kathleen De Vlieger, Richard Hutchinson, Andreas Czich, Susanne Glowienke, M. Vijayaraj Reddy, Sandra Johanssen, Esther Vock, Nancy Claude, Richard J. Weaver
Publikováno v:
Regulatory Toxicology and Pharmacology. :105415
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ee8f7358994d33dfefa7e612fd27f78
https://doi.org/10.1016/j.yrtph.2023.105415
https://doi.org/10.1016/j.yrtph.2023.105415
Publikováno v:
Journal of Computer-Aided Molecular Design. 35:541-555
We present a study based on density functional theory calculations to explore the rate limiting steps of product formation for oxidation by Flavin-containing Monooxygenase (FMO) and glucuronidation by the UDP-glucuronosyltransferase (UGT) family of e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f7c90b69d08a30386200462493a3992
https://doi.org/10.1007/s10822-020-00321-1
https://doi.org/10.1007/s10822-020-00321-1