Identifying potential liver toxicants using in vitro and in silico methods in a weight-of-evidence based approach

Madden, Judith C.; Pletz, Julia; Webb, Steven D.; Enoch, Steven J.; Cronin, Mark T.D.

doi:10.1016/j.toxlet.2017.07.369

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“…A potentially rich source of information to develop further structural information are the data resultant from ToxCast. It has been shown that fingerprints using available ToxCast data on kidney tissue cell lines may be developed [293]. Such fingerprints could consist of a defined number of in vitro assays reflecting the toxic mechanism of a specific group of known nephrotoxicants.…”

Section: Ii)mentioning

confidence: 99%

A critical review of adverse effects to the kidney: mechanisms, data sources, andin silicotools to assist prediction

Pletz

Enoch

Jais

et al. 2018

Expert Opinion on Drug Metabolism & Toxicology

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Introduction: The kidney is a major target for toxicity elicited by pharmaceuticals and environmental pollutants. Standard testing which often does not investigate underlying mechanisms has proven not to be an adequate hazard assessment approach. As such, there is an opportunity for the application of computational approaches that utilise multi-scale data based on the Adverse Outcome Pathway (AOP) paradigm, coupled with an understanding of the chemistry underpinning the molecular initiating event (MIE) to provide a deep understanding of how structural fragments of molecules relate to specific mechanisms of nephrotoxicity. The aim of this investigation was to review the current scientific landscape related to computational methods, including mechanistic data, AOPs, publicly available knowledge bases and current in silico models, for the assessment of pharmaceuticals and other chemicals with regard to their potential to elicit nephrotoxicity. A list of over 250 nephrotoxicants enriched with, where possible, mechanistic and AOP-derived understanding was compiled. Expert opinion: Whilst little mechanistic evidence has been translated into AOPs, this review identified a number of data sources of in vitro, in vivo and human data that may assist in the development of in silico models which in turn may shed light on the interrelationships between nephrotoxicity mechanisms.

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Section: Ii)mentioning

confidence: 99%