Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

The Investigation of the Synthesis, Characterization, Molecular Docking, and Pharmacokinetic Properties of New Thiocarbohydrazones Based on Schiff Bases

Version 1 : Received: 7 May 2024 / Approved: 7 May 2024 / Online: 8 May 2024 (02:40:50 CEST)

How to cite: Turkoz Karakullukcu, N. The Investigation of the Synthesis, Characterization, Molecular Docking, and Pharmacokinetic Properties of New Thiocarbohydrazones Based on Schiff Bases. Preprints 2024, 2024050380. https://doi.org/10.20944/preprints202405.0380.v1 Turkoz Karakullukcu, N. The Investigation of the Synthesis, Characterization, Molecular Docking, and Pharmacokinetic Properties of New Thiocarbohydrazones Based on Schiff Bases. Preprints 2024, 2024050380. https://doi.org/10.20944/preprints202405.0380.v1

Abstract

Ten new Schiff bases, including thiocarbohydrazone derivatives (1–10), were synthesized using an efficient, uncomplicated, and environmentally friendly approach using the reaction of alkyl-substituted aldehydes. The thiocarbohydrazones that were obtained were derived from o-phthalaldehyde. The chemical structures of the compounds were identified by the utilization of UV-Vis spectroscopy, Fourier transform infrared (FT-IR), 1H nuclear magnetic resonance (1H NMR), 13C nuclear magnetic resonance (13C NMR), and elemental analysis methods. The thermal stability of thiocarbohydrazones was examined using thermogravimetric analysis (TGA-DSC). Investigations were conducted on urease inhibition tests, pharmacokinetic property research, and molecular docking. The collection of samples with the urease enzyme revealed significant molecular docking findings, with MolDock scores ranging from -153 to -189. The compounds have the potential to be effective drug candidates for treating certain diseases, as indicated by the consistent results of molecular docking, urease inhibition tests, and pharmacokinetic characteristics investigations.

Keywords

thiocarbohydrazones; Schiff base; moleculer docking; urease inhibition; pharmacokinetic properties;drug combinations 

Subject

Medicine and Pharmacology, Pharmacy

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