Aryl structure-activity relationship

The QSAR (quantitative structure-activity relationship) approach has been considered for the identification of toxicants that bind to steroid and aryl... 

This procedure was utilized by the same authors to synthesize a large library of 4-carbohydroxamido-2-(aryl or alkyl)-2-imidazolines, some of which exhibited excellent LpxC inhibitory and antibacterial activities. The technical maneuvers in the syntheses of these compounds and their structure-activity relationships are comprehensively covered by the authors in their paper. 

M. A., Stuehr, D., Mansuy, D., N-Aryl N -hydroxyguanidines, a new class of NO-donors after selective oxidation by nitric oxide synthases structure-activity relationship,/. Med. Chem. 45 (2002), p. 944-954... 

The most potent among the compounds tested were the pyridazi-nones (28, R1 = Ph, R2, R3, R4, R5 = H, n = 2-5) [101]. Structure-activity relationships have been investigated in detail with this type of compound. Also, thio-analogues of compounds (28) (3-pyridazinethione derivatives) as well as 2-aminoalky]-6-aryl-3(2//)-pyridazinones were claimed in patents as gastric secretion inhibitors or anti-ulcer agents [100, 102, 103]. 

Kato, T.-A., Matsuda, T., Matsui, S., Mizutani, T. and Saeki, K.-I. (2002) Activation of the aryl hydrocarbon receptor by methyl yellow and related congeners structure-activity relationships in halogenated derivatives. Biological e[ Pharmaceutical Bulletin, 25, 466 171. 

Sovadinova, I., Blaha, L., Janosek, J., Hilscherova, K., Giesy, J.P., Jones, P.D. and Holoubek, I. (2006) Cytotoxicity and aryl hydrocarbon receptor-mediated activity of N-heterocydic polycyclic aromatic hydrocarbons structure-activity relationships. Environmental Toxicology and Chemistry, 25, 1291-1297. 

Marchini, S., Passerini, Hoglund, M.D., Pino, A., and Nendza, M. Toxicity of aryl- and benzylhalides to Daphnia magna and classification of their mode of action based on quantitative structure-activity relationship, Environ. Toxicol Chem., 18(12) 2759-2766, 1999. 

B., Okun, I., and Castillo, R.S. Structure-activity relationships of N2-aryl-3-(isoxazolylsulfamoyl)-2-thiophenecarboxamides as selective endothelin receptor-A antagonists. 

Regression Approaches to Structure-Activity Relationships in Miticidal 2-Aryl-l cycloalkanediones and Enol Esters... 

For halogenated aromatic hydrocarbons like polychlorinated biphenyls (PCBs), polychlorinated dibenzofurans (PCDFs), and polychlorinated dibenzo-p-dioxins (PCDDs) the binding to the aryl hydrocarbon (Ah) receptor regulates their toxicity [89]. The Ah receptor controls the induction of one of the cytochrome P450 enzymes in the liver. Toxic responses such as thymic atrophy, iveight loss, immu-notoxicity and acute lethality are associated ivith the relative affinity of PCBs, PCDFs and PCDDs for the Ah receptor [89]. The quantitative structure-activity relationship (QSAR) models predicting the affinity of the halogenated aromatic hydrocarbons ivith the Ah receptor describe the electron acceptor capability as well as the hydrophobicity and polarizability of the chemicals [89[. 

Johansson M, Earsson C, Bergman A, et al. 1998. Structure-activity relationship for inhibition of CYPl IB 1-dependent glucocorticoid synthesis in Yl cells by aryl methyl sulfones. Pharmacol Toxicol (Amsterdam) 83 225-230. 

R., Corelli, F., Massa, S., Ciacci, A., Man-etti, F., Artico, M. Antifungal Agents 10. New derivatives of l-[(aryl)[4-aryl-lH-pyrrol-3-yl]methyl]-lH-imidazole, synthesis, anti-Candida activity, and quantitative structure—activity relationship studies. J. Med. Chem. 2002, 45, 2720-2732. 

Poland A, Glover E. 1973a. Chlorinated dibenzo-p-dioxins Potent inducers of delta-aminolevulinic acid synthetase and aryl hydrocarbon hydroxylase 2. Study of the structure-activity relationship. Mol Pharmacol 9 736-747. 

Tarzia, G., Duranti, A., Tontini, A., Piersanti, G., Mor, M., Rivara, S., Plazzi, P. V., Park, C., Kathuria, S., and Piomelli, D. (2003). Design, synthesis, and structure-activity relationships of alkylcarbamic acid aryl esters, a new class of fatty acidamide hydrolase inhibitors. J. Med. Chem. 

Payen O, Top S, Vessieres A, Brule E, Plamont M, McGlinchey M, Muller-Bunz H, Jaouen G (2008) Synthesis and structure-activity relationships of the first ferrocenyl-aryl-hydantoin derivatives of the nonsteroidal antiandrogen nilutamide. J Med Chem 51 1791-1799... 

Shin SS, Byun Y, Lim KM et al. (2004) In vitro structure-activity relationship and in vivo studies for a novel class of cyclooxygenase-2 inhibitors. 5-aryl-2,2-dialkyl-4-phenyl-3(2H)furanaone derivatives. J Med Chem 47 794-804... 

Singh, N., Gupta, R.L. and Roy, N.K. (1996). Synthesis and Quantitative Structure-Activity Relationships of Aryl-2-Chloroethyl-Methyl Phosphate Fungicides. Indian l.Chem.,35B, 697-702. 

In the field of isospecific propylene polymerization, systematic structure-activity relationship studies of metalloeenes have shown that the combination of 2-alkyl and 4-aryl substitution is cmcial for a technically suitable catalyst performance (high catalytic activity, excellent stereoselectivity, high melting point of the polymer, certain copolymer properties, etc.) [7, 8]. Consequently, there is a consider-... 

Hansch and Caldwell have analyzed the quantitative structure/activity relationships (QSAR) of a series of amphetamine and 2-phenethylamine analogs, to discern the role of steric and hydrophobic aryl substituents on the inhibition of 5-HT uptake (142). From the biological data of 19 compounds, including those in Table 15.13. and some additional analogs, the following equation was derived for inhibition of uptake activity, where C is the IC concentration, MR4 is the molar refrac-tivity value of the aryl substituent scaled by 0.1, and 7T3 is the hydrophobicity of the meUi substituent on the aryl ring ... 

Sovadinova I, Blaha L, Janosek J, Hilscherova K, Giesy JP, Jones PD, et al. Cytotoxicity and aryl hydrocarbon receptor-mediated activity of w-heterocyclic polycyclic aromatic hydrocarbons Structure-activity relationships. Environ Toxicol Chem 2006 25 1291-7. 

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