Registration Number
0226U002245,
(0125U001794)
, R & D reports
Title
Search for novel potential anticonvulsant agents for the treatment of post-traumatic epilepsy in military personnel and the civilian population
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Дизайн сфокусованих суббібліотек для синтетичних досліджень в рамках “structur e-based design” стратегії, побудова фармакофорної моделі. Дизайн і синтез нових гетероциклічних похідних на основі тіазолу, тіазолідинону, тіопіранотіазолу для скринінгу.
Head
Polovkovych Sviatoslav V., Доктор хімічних наук
Registration Date
12-02-2026
Organization
Lviv Polytechnic National University
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Development of highly efficient selective agents with anticonvulsant activity. The research focuses on the molecular design of novel thiazole, thiazolidinone, and thiopyranothiazole derivatives to enable the synthesis of compounds with potential antiepileptic properties. The dissemination of data on the bioactivity of these compounds will expedite the development of innovative pharmaceuticals, enhancing the efficacy of traumatic brain injury rehabilitation and mitigating post-traumatic stress disorders in combatants.
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The research project is focused on the identification and scientific justification of novel potential anticonvulsant agents for the treatment of post-traumatic epilepsy, particularly among military personnel and civilian populations. The relevance of this study is determined by the increasing incidence of traumatic injuries to the central nervous system, a high prevalence of pharmacoresistant forms of epilepsy, the limited efficacy and adverse effects of existing antiepileptic drugs, and the urgent need for new drug candidates with improved efficacy and safety profiles.
The project is based on a comprehensive interdisciplinary approach combining structural-fragment analysis of active pharmaceutical ingredients of antiepileptic drugs classified within the ATC N03A group, fragment-based and structure-based drug design strategies, and advanced in silico studies, including pharmacophore modeling, molecular docking, ADME/PK evaluation, and toxicity prediction. These computational approaches are integrated with experimental organic synthesis of heterocyclic small molecules, enabling rational selection of promising structures at the early design stage and reducing risks associated with subsequent experimental phases.
Derivatives of thiazole, thiazolidinone, and thiopyrano[2,3-d]thiazole have been selected as priority chemotypes due to their high pharmacophoric density, structural flexibility, and demonstrated biological potential. Within the project framework, focused sub-libraries are designed, pharmacophore models are developed, and modern targeted synthetic methodologies are applied, including cascade and domino reactions such as the Knoevenagel-hetero-Diels-Alder process. The resulting compounds are subjected to rational selection for further biological screening.
Product Description
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Maryna Stasevych
Mykhailo Hoidyk
Olexandra Roman
Roksolana Konechna
Andriy Karkhut
Andrii Lozynskyi
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2026-02-12
