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Information × Registration Number 0220U103609, 0115U002146 , R & D reports Title Ligands of benzodiazepine, serotonin, dopamine, and fibrinogen receptors. Synthesis, "structure-property" relationship, selectivity and bi(poly)modality of action popup.stage_title Head Andronati Sergey A., Доктор хімічних наук Registration Date 26-10-2020 Organization Physico-Chemical Institute O. Bogatsky National Academy of Sciences of Ukraine popup.description2 The purpose of the study: Molecular design and synthesis of new derivatives of arylpiperazine, study of their structural features, basic, hydrophobic, pharmacological properties, affinity in the corresponding receptors and thermodynamic parameters of ligand - receptor interactions. A number of new arylpiperazine derivatives, potential ligands of serotonin receptors, have been synthesized, and their structure has been studied by mass spectrometry and 1H-NMR spectroscopy. Thermodynamic analysis of the complexation of arylpiperazine derivatives with the 5-HT1A receptor was performed and it was found that nonspecific interactions (entropy term (-TΔS°) in the Gibbs equation) determine the binding of ligands to the receptors. At the same time, specific interactions (according to the altered enthalpy ΔH°) are not leading. It was found that ΔH° and -TΔS° for the studied compounds and those described in the literature and serotonin are in compensation (r = 0.9999), and for derivatives of substituted arylpiperazines with the same N-terminal radicals there is a fairly close correlation (r from 0.87 to 0.98) between the pKa of the nitrogen atom N1 and the affinity (pKi) for serotonin 5-HT1A receptors in the cerebral cortex of rats. The information obtained is consistent with the results of docking analysis obtained by other authors. A number of 3-chlorophenyl- and 3-(fluorophenyl) amino-1,2-dihydro-1,4-benzdiazepin-2-ones, the structure of which was confirmed by mass spectrometry and 1H-NMR spectroscopy, and for 3-(2'-fluorophenyl)amino-1,2-dihydro-1,4-benzdiazepin-2-one - by X-ray diffraction analysis. The study of the affinity of the obtained compounds for central and peripheral benzodiazepine receptors showed that derivatives with 3-(o-, m-, p-fluorophenyl)amine substituent are high-affinity ligands of both central and peripheral benzodiazepine receptors. Product Description popup.authors Illyushko Natalia О. Bachinsky Serhii Yu. Burenkova Natalia O. Kabanova Tetyana A. Karaseva Tamara L. Kornylov Аlexander Yu. Krysko Andrii А. Krysko Olga L. Pavlovsky Viсtor I Нalimova Olena I. popup.nrat_date 2021-03-17 Close