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0224U032867,
(0124U004287)
,
Building the research infrastructure of the drug design ecosystem
Інституціоналізація дослідницької інфраструктури екосистеми дизайну ліків в Україні
Lesyk Roman B., д.фарм.н.
09-12-2024
Danylo Halytsky Lviv National Medical University
The main goals of the project are the development of research infrastructure of the drug design ecosystem by establishing a Center for Molecular Design, Research on Medicines and Biologically Active Compounds (DRUGCentre), which will allow the consolidated research community to use specific tools, resources, and services to accelerate scientific achievements and facilitate the integration of the Ukrainian scientific community into the European scientific space.
In the course of work, the synthesis of "drug-like molecules" was carried out by structural modification of the thiazolidinone fragment in the C-5 position, including its conjugation with known "biophoric" heterocyclic systems, in particular the indole core. Based on the logical-structural approach, the optimal directions for obtaining thiopyrano[2,3-d]thiazole derivatives with indole fragments in the structure were selected. It was shown that 5-arylidene isorhodanines are effective reagents in the conditions of Knoevenagel condensation with heterocyclic aldehydes based on indole, which made it possible to obtain a series of new 5-heterylidene-4-thiazolidinones and structurally related heterocyclic systems. For the first time, a group of thiopyranothiazole derivatives with juglone fragments in the structure, not described in the literature, was obtained. Based on complex NMR analysis and other spectral studies, the structure of the synthesized compounds was confirmed. Screening studies of the pharmacological activity of the synthesized compounds allowed us to identify a number of promising agents with antineoplastic activity, as well as to establish some regularities of the “structure-action” correlation.
Ivasechko Iryna I.
Hoidyk Mykhailo V.
Holota Serhii M.
Kozak Yuliia S.
Konechnyi Yulian T.
Lesyk Roman B.
Andrii V. Lozynskyi
Sementsiv Hryhorii M.
Tymechko Iryna R.
Finiuk Nataliia S.
Fedak Yaryna O.
Fedusevych Olha-Mariia V.
Yushyn Ihor M.
2024-12-09
Updated: 2025-12-06
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