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Information × Registration Number 0218U000914, 0114U002202 , R & D reports Title The calixarenes and azacrown ethers based molecular platforms to create effective antiviral drugs popup.stage_title Head Kirichenko T.I., Registration Date 27-02-2018 Organization A.V. Bogatsky, Physico-Chemical Institute of the National Academy of Sciences of Ukraine popup.description2 Research object - derivatives of calix[4]arenes and azacrown ethers; supramolecular complexes of lipophilic and hydrophilic calixarenes with molecules of potential antiviral compounds and their properties; derivatives of azacrown ethers with adamantyl-containing substituents. Objective - creation on the basis of calix[4]arenes of supramolecular complexes with molecules of known antiviral agents, the synthesis of azacrown ether derivatives with adamantyl-containing substituents and the study of their antiviral activity; molecular design using QSAR methods to identify new promising compounds for fighting viral infections. Practical results. The possibility complexes formation between hydrophilic and lipophilic derivatives of calix [4] arene and molecules of some antiviral agents is shown. The experimental data are confirmed by calculations using the molecular mechanics method. Optimal methods for the synthesis of amide derivatives of aza and diazacrown ethers with adamantane-containing substituents and their reduction have been developed. It has been established that the optimal method of the amide bonds formation in dipeptide derivatives of aza and diazacrown ether derivatives with fragments of epsilon-aminocaproic and p-aminomethylbenzoic acids is the carbodiimide method in the presence of N-hydroxybenzotriazole as a nucleophilic additive using Boc-protected amino acids. It was shown that the compound on the base of N,N'-dicarboxymethyldiaza-18-crown-6 with an epsilon-aminocaproic acid fragment, which is more active than Tamiflu, showed the greatest activity for the H1N1 virus. Using an advanced QSAR model, an non-experimental screening and molecular design of macrocyclic compounds with respect to the H3N2 influenza virus was carried out. It is shown that the most promising in this regard are the adamantane-containing derivatives of azacrown ethers. USES - Organic and bioorganic chemistry Product Description popup.authors Алєксєєва О.О. Артеменко А.Г. Басок С.С. Кириченко Т.І. Кузьмін В.Є. Луцюк А.Ф. Огниченко Л.М. popup.nrat_date 2020-04-02 Close