Application to structure-activity

In this chapter, the voltammetric study of local anesthetics (procaine and related compounds) [14—16], antihistamines (doxylamine and related compounds) [17,22], and uncouplers (2,4-dinitrophenol and related compounds) [18] at nitrobenzene (NB]Uwater (W) and 1,2-dichloroethane (DCE)-water (W) interfaces is discussed. Potential step voltammetry (chronoamperometry) or normal pulse voltammetry (NPV) and potential sweep voltammetry or cyclic voltammetry (CV) have been employed. Theoretical equations of the half-wave potential vs. pH diagram are derived and applied to interpret the midpoint potential or half-wave potential vs. pH plots to evaluate physicochemical properties, including the partition coefficients and dissociation constants of the drugs. Voltammetric study of the kinetics of protonation of base (procaine) in aqueous solution is also discussed. Finally, application to structure-activity relationship and mode of action study will be discussed briefly. 

Yamashita, F., Hara, H., Ito, T., Hashida, M. Novel hierarchical classification and visualization method for multiobjective optimization of drug properties application to structure-activity relationship analysis of cytochrome P450 metabolism. J. Chem. Inf. Model. 2008, 48, 364-9. 

The generalized connectivity indices hxR and Xr have found numerous applications to structure-activity correlations, reviewed in the book of Kier and Hall8). Anaestetic activity was studied most detailed 6 13), along with nonspecific narcotic activity 8,14), enzyme inhibition 8,15,17) etc. 

Moriguchi, I., Hirono, S., Liu, Q. and Nakagome, I. (1992a). Fuzzy Adaptive Least Squares and Its Application to Structure-Activity Studies. Quant.Struct.-Act.Relat., 11,325-331. 

Molecular Shape Descriptors Applications to Structure-Activity Studies... 

C. Altomare, R. S. Tsai, N. El Tayar, B. Testa, A. Carotti, S. Cellamare, and P. G. De-Benedetti,/. Pharm. Pharmacol., 43, 191 (1991). Determination of Lipophilicity and Hydrogen-Bond Donor Acidity of Bioactive Sulphonyl-Containing Compounds by Reversed-Phase HPLC and Centrifugal Partition Chromatography and Their Application to Structure-Activity Relations. 

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