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Mutagenicity and Carcinogenicity

Mutagenicity and Carcinogenicity

Mutagenicity and carcinogenicity refer to the ability of drugs to cause genetic defects and induce cancer, respectively. The International Agency for Research on Cancer (IARC) classifies agents into four groups based on their carcinogenic potential. Group 1 agents are known human carcinogens; group 2A agents are probably carcinogenic to humans; group 3 agents lack data to support their role in carcinogenesis; and group 4 includes agents for which data support that they are not likely to be...

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Updated: Jun 18, 2025

A General Method for Detecting Nitrosamide Formation in the In Vitro Metabolism of Nitrosamines by Cytochrome P450s

A General Method for Detecting Nitrosamide Formation in the In Vitro Metabolism of Nitrosamines by Cytochrome P450s

Published on: September 25, 2017

A Kinetic Model for Assessing Potential Nitrosamine Carcinogenicity.

Shu Yu¹, J Christopher McWilliams¹, Olivier Dirat²

¹Chemical Research and Development, Pfizer Research & Development, Groton, Connecticut 06340, United States.

Chemical Research in Toxicology

|July 29, 2024

Summary

Assessing nitrosamine carcinogenicity is vital for safety limits. Two new computational models use quantum mechanics and data to predict the cancer-causing potential of nitrosamines, aiding in setting safe intake levels.

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Analytical Techniques for Assaying Nitric Oxide Bioactivity

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Last Updated: Jun 18, 2025

A General Method for Detecting Nitrosamide Formation in the In Vitro Metabolism of Nitrosamines by Cytochrome P450s

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Analytical Techniques for Assaying Nitric Oxide Bioactivity

Analytical Techniques for Assaying Nitric Oxide Bioactivity

Published on: June 18, 2012

Area of Science:

Toxicology and Pharmaceutical Sciences
Computational Chemistry
Risk Assessment

Background:

Nitrosamines are prevalent contaminants in food, water, cosmetics, and tobacco.
Their recent detection in pharmaceuticals necessitates robust methods for evaluating carcinogenic potential.
Establishing acceptable intake limits for nitrosamines is crucial for public health.

Purpose of the Study:

To develop and validate computational models for predicting nitrosamine carcinogenic potency.
To provide tools for assessing nitrosamines not yet tested experimentally.
To support the establishment of science-based acceptable intake limits for nitrosamines.

Main Methods:

Utilized quantum mechanical calculations to derive molecular properties.
Integrated mechanistic insights and existing toxicological data.
Developed and applied two distinct computational models to assess carcinogenic potency.

Main Results:

The computational models successfully predicted the carcinogenic potency of various common nitrosamines.
The models demonstrated applicability to nitrosamines lacking experimental data.
Quantitative structure-activity relationships were established for nitrosamine carcinogenicity.

Conclusions:

Computational modeling offers a viable approach to estimate nitrosamine carcinogenic potency.
These models can significantly aid regulatory bodies in setting acceptable intake limits.
The developed methods enhance the safety assessment of products containing nitrosamines.