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Information × Registration Number 0224U033586, (0123U100681) , R & D reports Title Development of synthesis methods and study of stereochemical structure and properties of potentially bioactive compounds popup.stage_title Дерацемізація органічних сполук методом динамічного кінетичного розділення в присутності органокаталізаторів. Розробка методів встановлення абсолютної конфігурації синтезованих речовин та дослідження їх біоактивності. Head Kolodiazhna Anastasiya O., Доктор хімічних наук Registration Date 31-12-2024 Organization V.P. Kukhar Institute of Bioorganic Chemistry and Petrochemistry of the National Academy of Sciences of Ukraine popup.description1 Development of methods of asymmetric synthesis and enzymatic biocatalysis for obtaining chiral organic, fluoro- and organophosphorus compounds of high optical purity and studying their biological activity. Methods of fine organic synthesis, spectral and X-ray structural studies, methods of biocatalysis and enzymatic kinetic deracemization, computer modeling methods of bioactivity will be applied in the work. popup.description2 Stereoselective methods for obtaining optically active compounds with potential biological activity, as possible precursors for pharmaceuticals, have been developed. Methods for obtaining both enantiomers of optically active heterocyclic alcohols and amines using bioenzymatic catalysts were investigated. It was demonstrated that chemoenzymatic deracemization methods are excellent, simple, and environmentally friendly procedures aimed at obtaining chiral compounds in a single enantiomerically pure form. A series of racemic 3-arylbutanoic and 3-aryl-2-methylpropanoic acids were successfully resolved into enantiomers via lipase-catalyzed hydrolysis. The optical purity and absolute configuration of the enantiomers were determined using chiral HPLC, molecular modeling of the enzymatic separation process, and molecular dynamics simulations. It was shown that the use of these methods enables the prediction of the absolute configuration of the compounds formed as a result of the enzymatic separation reaction and provides a better understanding of the enzyme-substrate interaction mechanism. Product Description popup.authors Hryshkun Yevhen V. Kolodiazhna Olha O. Kolodiazhnyi Oleh I. Prysiazhniuk Dmytro V. Sheiko Serhii Yu. popup.nrat_date 2024-12-31 Close