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Information × Registration Number 0214U008796, 0113U006254 , R & D reports Title Development of novel technologies for synthesis of the virus replication inhibitors - the potential therapeutic agents against hepatitis C virus popup.stage_title Head Hovorun Dmytro Mykolayovych, Registration Date 27-10-2014 Organization Institute of Molecular Biology and Genetics popup.description2 Original complex approach for design of RdRp HCV regulators has been developed taking into account the structure of potential targets. The new mechanism of clusterization and selection of compounds with various pharmacophoral characteristics from the large bases of molecular structures have been developed. Molecular docking large arrays of molecular structures (over 2 000 000 compounds) in the model of RdRp HCV catalytic pocket and allosteric sites taking into account med-chem indexes have been conducted. The library of potential inhibitors in a number of 1200 structures is selected and the possible modes of their cooperation with targets are proposed. The methods had been developed and the library of chemical substances (1003 sumpls) - potential RzRp HCV inhibitors was synthesized. Product Description popup.authors Броварець Ольга Олександрівна Васильченко Олександр Говорун Дмитро Миколайович Кириленко Тамара Констянтинівна Маньковська Оксана Сергіївна Пальчиковська Лариса Гнатівна Платонов Максим Олегович Самійленко Світлана Панасівна Степанюгин Андрій Васильович popup.nrat_date 2020-04-02 Close