Our work
It is very common to find gaps in physico-chemical and (eco)toxicological data sets, which preclude confident hazard and risk assessment. Testing on vertebrate animals has ethical concerns across all sectors, and is banned for cosmetics marketed in Europe. Laboratory animal studies are in any case often undesirable for more mundane reasons such as time and costs. Where possible, we strive to help clients fill data gaps without a potentially costly and animal-intensive trip to the testing laboratory.
Computer models have been developed to predict the toxicological characteristics of an untested compound based on knowledge of the activity of others. (Q)SAR modelling is gaining regulatory acceptance. Indeed, in some sectors (Q)SAR analysis is a requirement. It can also be used as a screening exercise to inform a company on whether laboratory testing is scientifically justified.
Interpretation
Our vast experience in applying these toxicity models is matched by our expertise in interpreting the results. The limitations of (Q)SAR models must be understood and described, and the results should be applied appropriately. (Q)SAR results should always be interpreted in the context of any literature identified in searches of databases such as bibra’s own TRACE. Our toxicologists perform robust sanity checks on all of the outputs to ensure that predictions are sensible and consistent with our on-the-job knowledge and expectations.
Expertise/Leadscope
Bibra is an expert consulting partner of Leadscope, which we use frequently in-house, including for the evaluation of DNA-reactive compounds (particularly pharmaceutical impurities), in accordance with ICH guidance M7. Toxicology Director, Pete Watts and Senior Toxicologist, Chris Waine, are regular contributors to Leadscope’s continuing development through participation in working groups, and have been involved in several publications in the peer-reviewed literature.
Models
Our in-house team and expert partners can generate (Q)SAR predictions using a range of in silico models, including:
Helpful links
In silico toxicology protocols
Myatt et al. 2018: Regulatory Toxicology and Pharmacology (volume 96)
Genetic toxicology in silico protocol
Hasselgren et al. 2019: Regulatory Toxicology and Pharmacology (volume 107)
Some of our case studies in this area
Knowledge is key. Part 2: The bibra TRACE database (and supporting databank)
Blog articles
In Part 1, Peter Watts gave a potted history of his personal early experience in literature searching and toxicity data identification. Along with our colleagues of the same 'fine vintage', he weathered the storms of change, progressing from a time of back-strain (from carrying huge texts around) and index finger wear (turning pages) to dial-up and then to web-based searching. With your indulgence, Pete would now like to expand a little regarding TRACE and its value to clients and the bibra toxicologists.
Knowledge is key. Part 1: Toxicity literature searching, a personal history
Blog articles
Our Toxicology Director, Peter Watts, has written a very interesting article focussing on toxicity literature searching, from his own perspective (having been at bibra for 40+ years)
An overlooked aspect of organophosphorus compound neurotoxicity
Blog articles
Organophosphorus compounds (OPs) are widespread in both the natural and industrial worlds. Being major components of DNA and cell membranes, their diverse chemical properties are fundamental for the biology of life. But they also find uses in a range of anthropogenic applications, for example, as flame retardants, plasticisers, antioxidants and, perhaps most famously, as pesticides.
