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Information × Registration Number 0223U005594, 0120U104785 , R & D reports Title Polypharmacophoric organic compounds based on peptidomimetics and annelated benzodiazepines popup.stage_title Head Chebanov Valentyn A., Доктор хімічних наук Registration Date 25-12-2023 Organization State Scientific Institution Scientific and Technological Complex" Institute of Single Crystals "of the National Academy of Sciences of Ukraine popup.description2 The goal of the project is development of new effective synthetic approaches to pharmaco-promising structurally complex organic compounds based on a tandem combination of multicomponent and click-reactions using non-classical activation methods. Study of the features of the molecular structure,biological screening in silico, and study of the membranotropic effect of the obtained compounds. 1. Optimal conditions for the interaction of 3-amino-5-methylisoxazole, aromatic aldehydes, and α-ketoglutaric acid have been developed and peptidomimetics were obtained using the four-component Ugi reaction. 2. On the basis of the isocyanide Groebke reaction synthetic routes to annelated 4-aryl-5-aminoimidazole derivatives containing functional groups capable to participate in the Ugi reaction have been developed. The Ugi reaction on the basis of new imidazo[1,2-a]-containing acids was studied. 3. Two selective methods for the synthesis of N-(2-amino-1-(2-azidophenyl)-2-oxoethyl)propiolamides were developed on the basis of a freaction of 2-azidobenzaldehyde,a number of amines isocyanides, and propargyl acid. Based on the intramolecular azide-alkyne cycloaddition reaction an efficient method for the synthesis of 4-oxo-5,6-dihydro-4H-benzo[f][1,2,3]triazolo[1,5-a][1,4]diazepine derivatives has been developed. 4. Using a multistep virtual screening strategy combined with molecular docking, clear recommendations for the rational design of benzotriazolodiazepines were developed, which are potential agonists or antagonists of the CB1 receptor, the design of 2-(4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2-aryl-2, 5-dihydro-1H-pyrrole-3-yl)acetamides and 2-(3-(3H-imidazo[1,2-b][1,2,4]triazol-5-yl)phenoxy)acetamides, which are potential agonists of the receptor TLR7. 5. The membranotropic activity of synthesized compounds on liposomes and rat erythrocytes was studied in detail using spin probes, and conclusions were drawn about the affinity of the compounds for the corresponding membranes Product Description popup.authors popup.nrat_date 2023-12-25 Close