Toxicophore
Toxicophore
Toxicophore (/tɒksɪkəfɔːr/; from the Greek words τοξικός, toxikos, "poisonous", and φορέω, phoreo, "to bear") is a functional group or a region within a molecule that is associated with its toxic properties.
Overview
A Toxicophore is a structural feature within a molecule that is thought to be responsible for its toxic activity. This concept is used in the field of Medicinal Chemistry and Toxicology to design safer drugs and to identify potential toxicants in the environment.
Identification
The identification of a toxicophore can be achieved through various methods such as Quantitative Structure-Activity Relationship (QSAR) studies, Molecular Modelling and Computational Chemistry. These methods can help to predict the toxicity of a compound and to identify the specific structural features that are responsible for this toxicity.
Applications
The concept of a toxicophore is used in Drug Design to modify the structure of a drug in order to reduce its toxicity while maintaining its therapeutic activity. It is also used in Environmental Toxicology to predict the toxicity of new chemicals and to identify potential toxicants in the environment.
Related Terms
- Pharmacophore: A region within a molecule that is associated with its pharmacological activity.
- Chemoinformatics: The use of computer and informational techniques to solve chemical problems.
- Drug Metabolism: The process by which the body breaks down and converts medication into active chemical substances.
See Also
External links
- Medical encyclopedia article on Toxicophore
- Wikipedia's article - Toxicophore
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