{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Bassan A"],"funding":["National Institute of Environmental Health Sciences","NIEHS NIH HHS"],"pagination":["100187"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC8955833"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["20"],"pubmed_abstract":["Hepatotoxicity is one of the most frequently observed adverse effects resulting from exposure to a xenobiotic. For example, in pharmaceutical research and development it is one of the major reasons for drug withdrawals, clinical failures, and discontinuation of drug candidates. The development of faster and cheaper methods to assess hepatotoxicity that are both more sustainable and more informative is critically needed. The biological mechanisms and processes underpinning hepatotoxicity are summarized and experimental approaches to support the prediction of hepatotoxicity are described, including toxicokinetic considerations. The paper describes the increasingly important role of <i>in silico</i> approaches and highlights challenges to the adoption of these methods including the lack of a commonly agreed upon protocol for performing such an assessment and the need for <i>in silico</i> solutions that take dose into consideration. A proposed framework for the integration of <i>in silico</i> and experimental information is provided along with a case study describing how computational methods have been used to successfully respond to a regulatory question concerning non-genotoxic impurities in chemically synthesized pharmaceuticals."],"journal":["Computational toxicology (Amsterdam, Netherlands)"],"pubmed_title":["<i>In silico</i> approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity."],"pmcid":["PMC8955833"],"funding_grant_id":["R44 ES026909"],"pubmed_authors":["Anger LT","Bassan A","Greene N","Schaefer M","Williams D","Cross KP","Kim MT","Hsieh JH","Auerbach S","Mumtaz M","Noeske T","Alves VM","Amberg A","Kemper R","Szabo DT","Valentin JP","Myatt GJ","Sabnis Y","Woolley D","Wichard J","Bender A","Pavan M","Pletz J","Zwickl C","Cronin MTD","Russo DP","Beilke L"],"additional_accession":[]},"is_claimable":false,"name":"<i>In silico</i> approaches in organ toxicity hazard assessment: current status and future needs in predicting liver toxicity.","description":"Hepatotoxicity is one of the most frequently observed adverse effects resulting from exposure to a xenobiotic. For example, in pharmaceutical research and development it is one of the major reasons for drug withdrawals, clinical failures, and discontinuation of drug candidates. The development of faster and cheaper methods to assess hepatotoxicity that are both more sustainable and more informative is critically needed. The biological mechanisms and processes underpinning hepatotoxicity are summarized and experimental approaches to support the prediction of hepatotoxicity are described, including toxicokinetic considerations. The paper describes the increasingly important role of <i>in silico</i> approaches and highlights challenges to the adoption of these methods including the lack of a commonly agreed upon protocol for performing such an assessment and the need for <i>in silico</i> solutions that take dose into consideration. A proposed framework for the integration of <i>in silico</i> and experimental information is provided along with a case study describing how computational methods have been used to successfully respond to a regulatory question concerning non-genotoxic impurities in chemically synthesized pharmaceuticals.","dates":{"release":"2021-01-01T00:00:00Z","publication":"2021 Nov","modification":"2025-04-03T21:31:09.689Z","creation":"2025-04-03T21:31:09.689Z"},"accession":"S-EPMC8955833","cross_references":{"pubmed":["35340402"],"doi":["10.1016/j.comtox.2021.100187"]}}