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Information × Registration Number 0225U003644, (0118U007143) , R & D reports Title Synthesis, physico-chemical and biological properties of 3,4-disubstituted 3 (5) -thio-1,2,4-triazole with antioxidant, antihypoxic, antimicrobial, cardioprotective and hepatoprotective effects popup.stage_title Синтез, фізико-хімічні та біологічні властивості 3,4-дизаміщених 3(5)-тіо-1,2,4-тріазолу з антиоксидантною, антигіпоксичною, антимікробною, кардіо- та гепатопротекторною дією Head Panasenko Oleksandr Ivanovych, Доктор фармацевтичних наук Registration Date 25-07-2025 Organization Zaporizhzhya State Medical University popup.description1 popup.description2 The object of the research is the development of synthesis methods, the study of the reactivity, chemical, physicochemical and biological properties of new derivatives of 4-R-5-R1-1,2,4-triazole-3-thione and products of its chemical transformation. The purpose of the work is the synthesis of new biologically active compounds in the 1,2,4 triazole series, the study of their physicochemical and biological properties, the establishment of regularities of the relationship between chemical structure and biological action and the introduction into medical practice of new effective agents based on 1,2,4-triazole derivatives with anti-tuberculosis activity. Research methods: chemical methods (alkylation, reduction, esterification, neutralization, hydrazinolysis, catalytic condensation, cyclization reactions), physicochemical methods (elemental analysis, IR, 1H NMR spectroscopy, mass spectrometry, X-ray structural studies, chromatographic methods), chemometric (quantum chemical calculations, molecular docking, QSAR analysis, virtual screening, bioavailability), mathematical statistics methods. Results and their novelty. Molecular docking was performed to the enzyme "EC 2.7.13.3 Histidine kinase" and "EC 3.1.3.1 Alkaline phosphatase" as potential targets for antibacterial activity. Methods for the synthesis of 4-R-5-R1-1,2,4-triazole-3-thione derivatives have been developed, which may have potentially low toxicity and exhibit antimicrobial and fungicidal activity. Methods for the preparation of 4-R-5-R1-1,2,4-triazole-3-thione with halogenated compounds have been improved, and reactions of subsequent transformations of substituted 1,2,4-triazole-3-thione with α-haloketones have been studied. Methods for the synthesis of the corresponding thiones have been optimized, and a number of S-alkyl derivatives have been synthesized for the first time. The structure and individuality of the obtained compounds in all cases have been confirmed by modern physicochemical methods of analysi Product Description popup.authors Hotsulia Andrii S. Karpenko Yurii V. Safonov Andrii A. Shcherbyna Roman O. popup.nrat_date 2025-07-25 Close