STUDIES ON NICOTINAMIDE DERIVATIVES

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 ...

Studies on the Respiratory Chain-linked Nicotinamide Adenine Dinucleotide Dehydrogenase

Rhein (4,5-dibydroxyanthraquinone-Z-carboxylic acid) inhibits the mitochondrial oxidation of reduced nicotamide adenine dinucleotide (NADH) but not of succinate. The inhibition is competitive with respect to substrate and involves a block between NADH and the flavin of NADH dehydrogenase. The Ki is about 2 ~.LM at 30”. Evidence for this localization has come from kinetic analysis of the effect ...

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...