Toxicology Knowledge Team

In silico analysis

StefanStor

Stefan Czene is scientifically responsible for genetic toxicology and chemical toxicology at TKT and also TKT´s expert on in silico analysis. Additionally, he has a proven track record (e.g. AZ award) delivering business critical problem solving support to early and late stage pharmaceutical projects, at AstraZeneca as well as at TKT.

We welcome inquiries about TKT’s resources, expertise and prices existing in silico database predictions, chemical toxicology and genetic toxicology

TKT has unique expertise in the database-based toxicology and the use of prediction tools. Through our extensive toxicological expertise in the field, we can also handle all possible predicted outcomes, including providing appropriate problem solving capabilities, if necessary.

TKT offers: in silico prediktioner “in house” at favorable rates with the market-leading tools in this field: Derek Nexusand Leadscope™.

A few examples of applications:

– QSAR predictions of genotoxicity / carcinogenicity of molecules, in accordance with regulatory requirements (FDA, EMA).
– Risk evaluation and qualification strategies of potentially genotoxic impurities in APIs and marketed products.

Contact TKT for:

Advice on the way forward and the best way to utilize our database searches in early drug discovery projects.

Enquiries about the seminar / workshop at your site or via TC. We address the methodology, advantages and disadvantages of the various prediction tools, and provides information on current regulatory requirements eg in drug development, with respect to in silico analysis.


Guideline:

The ICH M7 Guideline on Assessment and Control of DNA Reactive (Mutagenic) Impurities in Pharmaceuticals to Limit Potential Carcinogenic Risk (Consensus draft guideline):

Two (Q)SAR prediction methodologies that complement each other should be applied. One methodology should be expert rule-based and the second methodology should be statistical-based.

The outcome of any computer system-based analysis should be reviewed with the use of expert knowledge.

DEREK Nexus

Derek

Predictions for > 40 endpoints e.g. reproductive toxicity, ocular toxicity, heart rate changes, nephrotoxicity, hepatotoxicity, thyroid toxicity, hERG channel inhibition, respiratory sensitization

The best developed endpoints: Mutagenicity/carcinogenicity and skin sensitization

Leadscope ModelApplier

Leadscope

Non-human Toxicological Endpoints

-Genetic Toxicity Suite
-Rodent Carcinogenicity Suite
-Reproductive Toxicity Suite

-Developmental Toxicity Suite
-Neurotoxicity Suite

Human Clinical Endpoints

-Human Adverse Cardiological Effects Suite
-Human Adverse Hepatobiliary Effects Suite
-Human Adverse UrinaryTract Suite

DNA större