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Information × Registration Number 0216U007469, 0114U003042 , R & D reports Title Computer design of new bioactive compounds and studying of the relationships between the structure and activity. popup.stage_title Head Metelytsia Larisa O., к.б.н. Registration Date 16-12-2016 Organization Institute of Bioorganic Chemistry and Petrochemistry of National Academy of Sciences of Ukraine popup.description2 On the base of analysis more than 15000 molecules of microbial inhibitors the 68 efficient QSAR models for prediction of the antimicrobial activities of newcompounds against a wide range bacterial and fungic cultures were created. A molecular docking-analysisof the cytotoxic properties of a number of oxazole derivatives was carried out.The antimicrobial properties of a number of perspective derivatives of an izoniazid, oxazole and ionic liquids with the predicted activity were experimentally studied.The series of compounds as original objects for an in-depth study as potential antimicrobial, biocidal and antitumour agents with the specific molecular mechanism of action have been offered. Product Description popup.authors І.В.Семенюта І.М.Коперник В.В. Ковалішин В.М.Благодатний Л.Є.Калашнікова popup.nrat_date 2020-04-02 Close