Structure–activity relationship

The structure–activity relationship (SAR) is the relationship between the chemical structure of a molecule and its biological activity. This idea was first presented by Alexander Crum Brown and Thomas Richard Fraser at least as early as 1868.[1][2]

The analysis of SAR enables the determination of the chemical group responsible for evoking a target biological effect in the organism. This allows modification of the effect or the potency of a bioactive compound (typically a drug) by changing its chemical structure. Medicinal chemists use the techniques of chemical synthesis to insert new chemical groups into the biomedical compound and test the modifications for their biological effects.

This method was refined to build mathematical relationships between the chemical structure and the biological activity, known as quantitative structure–activity relationships (QSAR). A related term is structure affinity relationship (SAFIR).

  1. ^ Brown, Alexander Crum; Fraser, Thomas Richard (1868). "V.—On the Connection between Chemical Constitution and Physiological Action. Part. I.—On the Physiological Action of the Salts of the Ammonium Bases, derived from Strychnia, Brucia, Thebaia, Codeia, Morphia, and Nicotia". Transactions of the Royal Society of Edinburgh. 25 (1): 151–203. doi:10.1017/S0080456800028155. extract: There can be no reasonable doubt that a relation exists between the physiological action of a substance and its chemical composition ... we are not aware that any approach has been made to the statement of a law connecting the physiological action of a substance with its chemical constitution.
  2. ^ Brown, Alexander Crum; Fraser, Thomas Richard (1869). "XX.—On the Connection between Chemical Constitution and Physiological Action. Part II.—On the Physiological Action of the Ammonium Bases derived from Atropia and Conia". Transactions of the Royal Society of Edinburgh. 25 (2): 693–739. doi:10.1017/S0080456800035377.
This article is issued from Wikipedia. The text is available under Creative Commons Attribution-Share Alike 4.0 unless otherwise noted. Additional terms may apply for the media files.