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 Crum-Brown and Fraser in 1865.[1] 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).
The large number of synthetic organic chemicals currently in production presents a major challenge for timely collection of detailed environmental data on each compound. The concept of structure biodegradability relationships (SBR) has been applied to explain variability in persistence among organic chemicals in the environment. Early attempts generally consisted of examining the degradation of a homologous series of structurally related compounds under identical conditions with a complex "universal" inoculum, typically derived from numerous sources.[2] This approach revealed that the nature and positions of substituents affected the apparent biodegradability of several chemical classes, with resulting general themes, such as halogens generally conferring persistence under aerobic conditions.[3] Subsequently, more quantitative approaches have been developed using principles of QSAR and often accounting for the role of sorption (bioavailability) in chemical fate.[4]
^Crum-Brown, A; Fraser (1865). "The connection of chemical constitution and physiological action". Trans R Soc Edinb. 25: 1968–69.
^Sims, Gerald; Sommers (1986). "Biodegradation of pyridine derivatives in soil suspensions". Environmental Toxicology and Chemistry. 5 (6): 503–509. doi:10.1002/etc.5620050601.
^Alexander, Martin; Lustigman (1966). "Effect of chemical structure on microbial degradation of substituted benzenes". J. Agric. Food Chem. 14 (4): 410–413. doi:10.1021/jf60146a022.
^Mani, S.V.; D.W. Connell; R.D. Braddock (1991). "Structure activity relationships for the prediction of biodegradability of environmental pollutants". Critical Reviews in Environmental Control. 21 (3, 4): 217–236. doi:10.1080/10643389109388416.
External links
Molecular Property Explorer
April 04, 2023
structure, activity, relationship, structure, activity, relationship, relationship, between, chemical, structure, molecule, biological, activity, this, idea, first, presented, crum, brown, fraser, 1865, analysis, enables, determination, chemical, group, respon. 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 Crum Brown and Fraser in 1865 1 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 Contents 1 Structure biodegradability relationship 2 See also 3 References 4 External linksStructure biodegradability relationship EditThe large number of synthetic organic chemicals currently in production presents a major challenge for timely collection of detailed environmental data on each compound The concept of structure biodegradability relationships SBR has been applied to explain variability in persistence among organic chemicals in the environment Early attempts generally consisted of examining the degradation of a homologous series of structurally related compounds under identical conditions with a complex universal inoculum typically derived from numerous sources 2 This approach revealed that the nature and positions of substituents affected the apparent biodegradability of several chemical classes with resulting general themes such as halogens generally conferring persistence under aerobic conditions 3 Subsequently more quantitative approaches have been developed using principles of QSAR and often accounting for the role of sorption bioavailability in chemical fate 4 See also EditCombinatorial chemistry Congener Conformation activity relationship Quantitative structure activity relationship PharmacophoreReferences Edit Crum Brown A Fraser 1865 The connection of chemical constitution and physiological action Trans R Soc Edinb 25 1968 69 Sims Gerald Sommers 1986 Biodegradation of pyridine derivatives in soil suspensions Environmental Toxicology and Chemistry 5 6 503 509 doi 10 1002 etc 5620050601 Alexander Martin Lustigman 1966 Effect of chemical structure on microbial degradation of substituted benzenes J Agric Food Chem 14 4 410 413 doi 10 1021 jf60146a022 Mani S V D W Connell R D Braddock 1991 Structure activity relationships for the prediction of biodegradability of environmental pollutants Critical Reviews in Environmental Control 21 3 4 217 236 doi 10 1080 10643389109388416 External links EditMolecular Property Explorer QSAR World Retrieved from https en wikipedia org w index php title Structure activity relationship amp oldid 1146104660, wikipedia, wiki, book, books, library,
