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Information × Registration Number 0226U002635, (0125U001851) , R & D reports Title New azaheterocycles: molecular design, synthesis, prospects for application for pharmacocorrection of post-traumatic stress disorders and metabolic syndrome popup.stage_title Дизайн комбінаторної бібліотеки нових похідних азагетероциклів, молекулярний докінг, прогноз фармакокінетичних та токсикометричних характеристик та синтез найбільш перспективних сполук Head Okovytyi Serhii I., Доктор хімічних наук Registration Date 02-03-2026 Organization Oles Honchar Dnipro National University popup.description1 The goal of the project is to combine modern computer capabilities and experimental (empirical) methods, new catalytic systems and reaction conditions for the targeted stereo-, regio- and enantioselective synthesis of new azaheterocycles with predicted properties and the prospect of their application for the pharmacocorrection of PTSD and metabolic syndrome. popup.description2 Within the research project, a combinatorial library of novel nitrogen-containing heterocyclic compounds was created and thoroughly analyzed using modern computational methods (molecular docking, prediction of pharmacokinetics and toxicity). Efficient synthetic methods were developed for previously unknown classes of compounds, such as spiro-triazolo-quinazolines, triazolo-triazines, ferrocenylpyridazines, thienothiopyran systems, and bicyclic aza-compounds. Promising substances with pronounced biological activity were identified: modulators of the DGK-α enzyme for combating cancer and immune disorders; nootropic and anxiolytic agents for improving cognitive functions; potent hepatoprotectors surpassing the known drug thiotriazoline; hypoglycemic agents for diabetes treatment; multitarget neuroprotectors for Parkinson's disease accompanied by depression. Synthesis was carried out using accessible reagents and "green" technologies (microwave activation, photochemistry, one-pot reactions), making the methods cost-effective and environmentally friendly. The obtained compounds exhibit a favorable safety profile (low toxicity, good bioavailability) and confirmed activity in laboratory tests on cell lines and animal models. The results pave the way for developing new domestic medicines for treating common diseases, including the effects of stress and trauma, which is particularly relevant for veteran rehabilitation. Product Description popup.authors Ihor F. Byelenichev Volodymyr А. Polonskyy Serhii I. Kovalenko Oleh O. Didur Kyrylo Tymoshenko Volodymyr M. Shvets Serhii V. Syniavskyi popup.nrat_date 2026-03-02 Close