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Information × Registration Number 0214U006949, 0113U006029 , R & D reports Title Development of target based methodology of rational search for new antituberculous medicinal preparation. popup.stage_title Head Tukalo Mykhaylo, Доктор біологічних наук Registration Date 15-04-2014 Organization Institute of Molecular Biology and Genetics of NASU popup.description2 The homology model of three-dimensional structure of prolyl-tRNA synthetase (ProRS) M. tuberculosis has been built. The method of receptor-oriented virtual screening has been proposed and docking collection of the library comprising 100,000 compounds into active site of ProRS M. tuberculosis were performed. Recombinant LeuRS M. tuberculosis has been obtained in amount of 50 mg and purified to >95%. The protocols of biochemical testing of inhibitory activity for chemical compounds toward LeuRS M. tuberculosis have been proposed and 408 compounds, selected during receptor-oriented virtual screening, have been tested under 1 mM and 100 µM compound concentrations. Based on the residual activity of enzyme for further investigations we have selected 15 the most promising compounds. The IC50 values were calculated for 6 inhibitors in both aminoacylation and ATP-pyrophosphate exchange reactions. The best values of IC50 were 6, 7.2 and 7.6 µM in aminoacylation reaction, and 1.9, 11.4 and 12.8 µM in ATP-pyrophosphate exchange reaction. Product Description popup.authors Бджола Володимир Григорович Бояршин Костянтин Сергійович Волинець Галина Петрівна Грищенко Андрій Анатолійович Гудзера Ольга Йосипівна Кpикливий Iван Андрійович Коваленко Оксана Петрівна Лукашов Сергій Степанович Остринська Ольга Василівна Яpемчук Ганна Дмитрівна Ярмолюк Сергій Миколайович popup.nrat_date 2020-04-02 Close