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Information × Registration Number 0223U000279, 0120U100310 , R & D reports Title Search, design and study of the action mechanisms of new biologically active compounds based on natural and synthetic scaffolds popup.stage_title Head Vovk Andrii I., Доктор хімічних наук Registration Date 05-01-2023 Organization V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine popup.description2 The computer modeling of complexes of organic molecules of various classes with therapeutically important enzymes was performed and some regularities of the effect of inhibitors on selected target proteins in vitro were established. The mechanisms of action of sulfonamide derivatives of calix[4]arenes on the activity of therapeutically important malate dehydrogenase and alkaline phosphatases were proposed. Derivatives of phosphoric, phosphonic, phosphinic, and α-ketophosphonic acids with calix[4]arene, thiacalix[4]arene, and sulfonylcalix[4]arene scaffolds were evaluated as potential inhibitors of pyruvate decarboxylase. The photocontrolled inhibition of acetylcholinesterase and butyrylcholinesterase by α-ketophosphonic acid derivatives was kinetically characterized. Using the method of viscometry, new data were obtained on the effect of thiamine on the hydration of serum albumin. Selected thiazolium salts have been evaluated as inhibitors of non-enzymatic glycosylation of albumin. The theoretical ADMET parameters of vitamin B1 and some of its bioactive natural and synthetic derivatives and structural analogs were compared. Data on the antioxidant activity of derivatives of N-benzylthiazolium salts were analyzed. The patterns of inhibition of xanthine oxidase by furan-containing rhodanine derivatives were established. The complexes of synthetic ligands with potential biotargets have been analyzed using the molecular docking method. Product Description popup.authors Buldenko Vladyslav M. Hushcha Tatiana О. Kobzar Oleksandr L. Mischenko Iryna M. Mykula Mariya S. Muzychka Oxana V. Sukhoveev Olexandr V. Tanchuk Vsevolod Yu. Tatarchuk Alʹona V. Shulga Yrij V. popup.nrat_date 2023-01-05 Close