Studies on Thiosemicarbazide Derivatives. I

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 ...

Synthesis, Antifungal Activity and Molecular Docking Studies on N-(Substituted- benzylidineamine)-3- cycloalkylidine-thiosemicarbazide Derivatives

A series of substituted N-(Benzylidineamine)-3-cycloalkylidine-thiosemicarbazide derivatives have been synthesized, characterized and evaluated for their antifungal and antibacterial activities. The newly synthesized compounds were characterized by IR, NMR, Mass and elemental analysis. All compounds were tested for antifungal and antibacterial activities. The preliminary results revealed that s...

Studies on nicotinamide derivatives.

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...

Design, Synthesis, and Fungicidal Activity of Novel Thiosemicarbazide Derivatives Containing Piperidine Fragments.

In order to discover novel eco-friendly lead compounds for plant pathogenic fungi control, a series of benzaldehyde thiosemicarbazide derivatives with a piperidine moiety have been designed and synthesized. Fungicidal activities of all the synthesized compounds were evaluated in vitro. The results indicated that all the title compounds exhibited moderate to good fungicidal activities. Compound ...