TKT offer unique expertise and experience in the field of database-based toxicology and has access to state of the art tools that can provide critical information for any drug project or chemical assessment.

Derek Nexus and Leadscope: TKT offers in silico predictions “in house” at favourable rates with the market-leading tools in this field: Derek Nexus™ and Leadscope™. TKT has unique expertise in the database-based toxicology (“in-silico”) and the use of these 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.

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.
TKT will provide advice on the way forward and the best way to utilize our database searches in early drug discovery projects.

Additional information:

ICH M7 Guideline:

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

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 Nexus 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