Registration Number
0222U000910,
(0120U101649)
, R & D reports
Title
Synthesis, modification and study of the properties of 1,2,4-triazole derivatives for the purpose of antimicrobial drug production
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Синтез, перетворення та дослідження фізико-хімічних властивостей похідних 1,2,4-тріазолу
Head
Panasenko Oleksandr I., Доктор фармацевтичних наук
Registration Date
21-01-2022
Organization
Zaporizhzhya State Medical University
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The aim of this work is to synthesize new biologically active compounds in a series of 1,2,4-triazole, to study their physicochemical and biological properties, to establish regularities of the connection between chemical structure and biological action, and to introduce into the practice of practice new effective agents based on derivatives 1 , 2,4-triazole with anti-tuberculosis activity.
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Object of research: development of synthesis methods, study of reactivity, chemical, physicochemical and biological properties of new derivatives of 4-R-5-R1-1,2,4-triazole-3-thiones and products of their chemical transformations.
Purpose: synthesis of new biologically active compounds in the range of 1,2,4-triazole, study of their physicochemical and biological properties, establishing patterns of connection between chemical structure and biological action and introduction into medical practice of new effective drugs based on derivatives 1,2,4-triazole with antitubercular activity.
Research methods: chemical methods (alkylation reactions, reduction, esterification, neutralization, hydrazinolysis, catalytic condensation, cyclization), physicochemical methods (elemental analysis, IR, NMR spectroscopy, mass spectrometry, X-ray diffraction) were used in the research work. research, chromatographic methods), chemometric (quantum chemical calculations, molecular docking, QSAR-analysis, virtual screening, bioavailability), methods of mathematical statistics.
For the first time, molecular docking was performed on 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, fungicidal and antitubercular activity.
Methods for obtaining 4-R-5-R1-1,2,4-triazole-3-thiones with halogen-derived compounds have been improved, and the reactions of subsequent transformations of substituted 1,2,4-triazole-3-thiones with α-haloketones have been studied. Methods for the synthesis of the corresponding thions 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 is confirmed by modern physicochemical methods of analysis.
Product Description
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Bihdan Oleksii A.
Hotsulia Andrii S.
Davydenko Pavlo O.
Donchenko Anastasiia O.
Volodymyr V. Zazharskyi
Karpenko Yurii V.
Karpun Yevhen O.
Knysh Yevhen H.
Lysianska Hanna P.
Polishchuk Nataliia M.
Safonov Andrii A.
Shcherbyna Roman O.
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2022-03-09
