Structure-affinity relationships

Audry, E., Dallet, P., Langlois, M. H., Colleter, J. C., Dubost, J. P. Quantitative structure affinity relationships in a series of alpha-2 adrenergic amines using... 

Figure 17. Structure affinity relationship measurement using reflectometric interference spectroscopy of atrazine versus an antibody in water. A variety of derivatives of triazines are measured at a number of concentrations to obtain affinity constants.

De Benedetti, P.G., Fanelli, F., Menziani, M.C., Cocchi, M., Testa, R. and Leonardi, A. (1997) Alpha 1-adrenoceptor subtype selectivity molecular modelling and theoretical quantitative structure-affinity relationships. Bioorganic el Medicinal Chemistry, 5, 809-816. 

In the course of our investigations with the phenylalkylamine 5-HT2 agonists (Section 2.1), we investigated the structure-affinity relationship (SAFIR) for binding. Although the 2,5-dimethoxy pattern was not essential for the binding of these compounds at 5-HT2 receptors, it appeared to be optimal. It was also found that lipophilic substituents at the ring 4-position played a major role in affinity modulation and that affinity increased as lipophilicity increased. For... 

In summary, the standard series approach failed in these instances to offer indications as to how selectivity might be achieved. On the other hand, it was not necessary to synthesize any new compounds to obtain the required binding data. Furthermore, the investigations cannot be considered as failures that is, the results (1) provided data for the formulation of structure-affinity relationships for each of the two 5-HT receptor subtypes, (2) provided information of the selectivity characteristics of a large number of known tryptamines (e g., they showed that 5-HTQ lacks affinity for these receptors), and (3) afforded data that was used in QSAR studies to better understand what, and how, various structural features of the tryptamines contribute to their binding (or lack thereof) (101,103). 

El Amouri H, Vessieres A, Vichard D, Top S, Gruselle M, Jaouen G (1992) Syntheses and affinities of novel organometallic-labeled estradiol derivatives a structure-affinity relationship. J Med Chem 35 3130-3135... 

Anderle P, Rakhmanova V, Woodford K et al. (2003) Messenger RNA expression of transporter and ion channel genes in undifferentiated and differentiated CACO-2 cells compared to human intestines. Pharm Res 20 3-15 Brandsch M, Knuetter I, Leibach FH (2004) The intestinal H+/peptide symporter PEPT1 structure-affinity relationships. Pharm Sci 21 53-60... 

R. L. Preston,). E Schaeffer, and P E Curran, Structure-affinity relationships of substrates for the neutral amino acid transport system in rabbit ileum, /. Gen. Physid., 64 443-467 (1974). 

Elass, A., Vergoten, G., Legrand, D., Mazurier, J., Elassrochard, E. and Spik, G. (1996a). Processes Underlying Interactions of Human Lactoferrin with the Jurkat Human Lymphoblastic T-Cell Line Receptor. 1. Quantitative Structure-Affinity Relationships Studies. QuantStruct.-AciRelat., 15, 94-101. 

IVapani, G., Carotti, A., Franco, M., Latrofa, A., Genchi, G. and Liso, G. (1993). Structure Affinity Relationships of Some Alkoxycarbonyl 2H-Pyrimido or Alkoxycarbonyl-4H-Pyrimido-(2,l-b)Benzothiazol-2-Qne or 4-Qne Benzodiazepine Receptor Ligands. EurJ.Med.Chem., 28, 13-21. 

Vansteen, B.J., Vanwijngaarden, I., Thlp, M.T. and Soudijn, W. (1994). Structure Affinity Relationship Studies on 5HT(1A) Receptor Ligands. 2. Heterobicyclic Phenylpiperazines with N4-Aralkyl Substituents. J.Med.Chem., 37,2761-2773. 

Brandsch, M., Knutter, I. and Leibach, F.H. (2004) The intestinal H + /peptide symporter PEPT1 structure-affinity relationships. European Journal of Pharmaceutical Sciences, 21 (1),... 

Timofei, S., Kurunczi, L. and Simon, Z. (2001) Structure-affinity relationships by the MTD method for binding to cellulose fibre of some heterocyclic monoazo dyes. MATCH Commun. Math. Comput. Chem., 44, 349-360. 

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