Studies on Phenanthrene Derivatives. VI

Studies on Digitalis VI

T IS undisputed that the administration of digitalis to patients with many forms of congestive heart failure results in an improvement in both the clinical state and in the abnormal circulatory dynamics that are characteristic of heart failure.'-6 The effects of digitalis in subjects without heart failure are less well defined. Although some glycosides augment the contractile force of nonfailin...

Studies on nicotinamide derivatives.

Lipophilicity Studies on Thiosemicarbazide Derivatives.

The lipophilicity of two series of thiosemicarbazide derivatives was assessed by the RP-HPLC method with the RP-18 chromatographic column and the methanol-water mixture as the mobile phase. Distribution coefficients logPHPLC were compared to calculated values generated by commonly used AClogP software and quantum chemical calculations. The reliability of the predictions was evaluated using the ...

Molecular docking studies on xanthohumol derivatives as novel ‎anticancer agents ‎

A set of Xanthohumol derivatives were selected and molecular docking studies of these ‎compounds on thioredoxin reductase were conducted. Based on new structural patterns using in ‎silico-screening study, new potent lead compounds were designed. The results due to validated ‎docking protocols lead to find that Thr58, Gly57, Gly21, Asp334, Glu163, Ala130, IIe332, ‎Val44 and Gly132 are the main a...

Molecular recognition studies on naphthyridine derivatives.

The association constants Kb of three hosts I-III designed to have both enhanced hydrogen bonding donor strength and conformational preorganization with biotin analogues 1-5 are reported. 1H-NMR titrations under two different concentration conditions have been employed to determine the association constants Kb. A statistical analysis using a presence absence matrix has been applied to calculate...