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Information × Registration Number 0221U107204, 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 Andriy I., Доктор хімічних наук Registration Date 29-12-2021 Organization V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine popup.description2  The results of studying the properties of the new bioactive compounds are present in the report. The aim of the study was in vitro and in silico characterization of the synthetic organic compounds and structural analogues of natural substances as potential protein ligands and antioxidants. According to the obtained results, rhodanine derivatives can effectively inhibit the activity of glutathione S-transferases, in particular human recombinant GST A1-1. Structure–activity relationship for calix[4]arene-α-ketophosphonic and calix[4]arene-α-hydroxymethylenebisphosphonic acids bearing alkyl substituents on the lower rim of the macrocyclic platform as malate dehydrogenase inhibitors was analyzed. The cooperative effects of structural thiamine analogues on serum albumin aggregation and their inhibitory effect in the formation of amyloid structures have been studied. The possibility of locating N-alkyloxycarbonyl-4-methyl-5-(2-hydroxyethyl)thiazolium chlorides in a model channel formed by amphotericin B have been established using computer calculations. The antiradical properties of 1,3-oxazole derivatives have been demonstrated. The properties of nitroxyl radicals with adamantane scaffold in membrane systems were analyzed by the molecular dynamics method. Product Description popup.authors Buldenko Vladyslav M. Hushcha Tatiana О. Kobzar Oleksandr L. Mischenko Iryna M. Melnyk Andrii К. Mykula Mariya S. Muzychka Oxana V. Sukhoveev Olexandr V. Tanchuk Vsevolod Yu. Tatarchuk Alʹona V. Shulha Yuliya O. popup.nrat_date 2022-03-09 Close