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Fuzzy structure-activity relationships
SAR and QSAR in Environmental Research, 2003While quantitative structure-activity relationships attempt to predict the numerical value of the activities, it is found that statistically good predictors do not always do a good job of qualitatively determining the activity. This study shows how Fuzzy classifiers can be used to generate Fuzzy structure-activity relationships which can more ...
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Structure–activity relationship of avocadyne
Food & Function, 2021Structural components including the terminal triple bond, the presence and (R)-stereochemistry of the hydroxyl groups, and number of carbons in avocadyne's aliphatic linear chain are critical to its ability to modulate fatty acid oxidation.
Matthew Tcheng +12 more
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Structure-Activity Relationships
2019In-depth analysis of the structure of the drug and its subsequent modification yield drugs with high affinity and increased receptor specificity with an improved pharmacokinetic profile. Modification of the parent molecule of catecholamines, called β-phenyl-ethyl-amine, provided orally active adrenergic bronchodilators, long-acting β2-adrenergic ...
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Structure-Activity Relationships
1971One of the most intriguing developments in the field of narcotic analgesics has been the discovery of the narcotic antagonists.(1–3) These compounds, which reverse or prevent most of the pharmacological actions of the narcotic analgesics, may have analgesic activity themselves. This finding was uncovered serendipitously in the clinic with nalorphine(4)
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Three-dimensional structure-activity relationships
Trends in Pharmacological Sciences, 1988Abstract Attempts to correlate biological activity and chemical structure have had limited success unless the study has confined itself to congeneric series, i.e. sets of analogs in which the chemical variation is sufficiently limited that the basis of molecular comparison is obvious.
G R, Marshall, R D, Cramer
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Felodipine Analogs: Structure-Activity Relationships
Journal of Cardiovascular Pharmacology, 1987Several 3,5-pyridinedicarboxylic acid [4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-] esters, which are analogs to felodipine, were synthesized and tested for peroral activity and vascular selectivity. Structure-activity relationships demonstrate that felodipine has biological properties (selectivity and oral activity) close to the optimum for this ...
P, Berntsson +2 more
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Structure-activity relationships of chemokines
Journal of Leukocyte Biology, 1995Abstract Structural analysis of chemokines has revealed that the α/β structural-fold is highly conserved among both the CXC and CC chemokine classes. Although dimerization and aggregation is often observed, the chemokines function as monomers.
I, Clark-Lewis +7 more
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Structure–activity relationships in nitrothiophenes
Bioorganic & Medicinal Chemistry, 2006The structure and electronic properties of a series of biologically active 2-nitrothiophenes (1) have been calculated using both semi-empirical and ab initio molecular orbital methods. Multi-linear regression analysis suggests that there is a reasonable correlation between the experimental activity of the derivatives against either Escherichia coli or ...
John O, Morley, Thomas P, Matthews
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Synthetic Retinoids: Structure–Activity Relationships
Chemistry – A European Journal, 2009AbstractRetinoid signalling pathways are involved in numerous processes in cells, particularly those mediating differentiation and apoptosis. The endogenous ligands that bind to the retinoid receptors, namely all‐trans‐retinoic acid (ATRA) and 9‐cis‐retinoic acid, are prone to double‐bond isomerisation and to oxidation by metabolic enzymes, which can ...
Jonathan H, Barnard +4 more
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