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Information × Registration Number 0211U013142, 0110U006120 , R & D reports Title Development for technology target-specific search of aminoacyl-tRNA synthetases inhibitors with selective action against specific human infections. popup.stage_title Head Tukalo Mykhaylo, Доктор біологічних наук Registration Date 28-12-2011 Organization Institute of Molecular Biology and Genetics of NASU popup.description2 For the first time, М. tuberculosis LeuRS tertiary structure model was build by homology modeling. As the structural matrix crystallographically investigated Thermus thermophilus LeuRS was used. LeuRSMt stuctural model and selected chemical compounds from the library were prepared for virtual screening. Basing on the results of virtual screening of 34000 compounds, 200 most perspective were selected for biological testing. The comparative study of humans and pathogenic bacteria Enterococcus faecalis prolyl-tRNA synthetases was carried out. Enzyme and ligand molecules were prepared for screening, and preliminary specific inhibitors search was accomplished. From chemical compound library, that contains 100000 components, 150 most perspective compounds were selected for biological testing. It was carried out by three independent methods of ProRSEf enzymatic activity testing in vitro. In this testing three components ( quinoline derivatives NN 58, 150, 154) were identified as the most active ProRSEf inhibitors (IC50 30 to 90 мкМ). Product Description popup.authors Бджола Володимир Григорович Бояршин Костянтин Сергійович Голуб А ндрій Григорович Гудзера Ольга Йосипівнв Кpикливий Iван Андрійович Коваленко Оксана Петрівна Яремчук Ганна Дмитрівна Ярмолюк Сергій Миколайович popup.nrat_date 2020-04-02 Close