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Information × Registration Number 0225U003666, (0122U001809) , R & D reports Title Molecular design of bioisosters of natural compounds and multicomponent materials for targeted drug delivery popup.stage_title Створення систем smart-полімер — мала молекула. Head Volovenko Yulian М., Доктор хімічних наук Registration Date 30-07-2025 Organization Taras Shevchenko National University of Kyiv popup.description1 Creation of libraries of functionalized sp3-enriched five- and six-membered sultans and sultons, determination of their physicochemical properties (in particular, solubility in water, lyophilization, etc.) and biological activity. Creation of nanocomposites of smart-polymer composition is a small molecule in order to improve the pharmacological profile of biologically active representatives. Testing for biological activity of obtained compounds and composites. popup.description2 The project is dedicated to the expansion and study of molecular libraries of five- and six-membered heterocycles with a sulfone fragment: sultams, sultones, etc. with a set of pharmacophoric groups. A separate task is to establish the physicochemical characteristics of the studied compounds (primarily water solubility and lipophilicity), study biological activity (toxicity and anticancer antibacterial and antitumor activity) and establish the “structure-activity” relationship. Based on the most active representatives of compounds of these classes, nanocomposites with smart polymers were created for targeted delivery to biological targets, bypassing the body's defense systems. This makes it possible to increase activity against the background of reduced toxicity. Systems of optimal structure and composition “polymer - small molecule” were tested for antimicrobial and antitumor activity. Relevance: The practical value of the sulfone fragment is explained by the fact that derivatives of this class meet the criteria of the Lipinski rule: that is, they are small molecules (molecular weight up to 500 a.u.m.) with moderate lipophilicity (logP ≤ 5) and a certain ratio of donor (no more than 5) and acceptor (no more than 10) hydrogen bonds. In addition, sp3-enriched cyclic sulfonamides fit perfectly into the modern concept of drug design called “escape from flatland”, according to which the enrichment of the molecule with sp3-hybridized carbon atoms, the presence of chiral centers and conformational rigidity increases the solubility of the molecule and its biological activity, which correlates with the positive probability of transition from the lead compound to the drug. Objective: Creation of libraries of functionalized sp3-enriched five- and six-membered sultams and sultones, determination of their physicochemical properties and biological activity. Product Description popup.authors Bezuhla Tetiana M. Virych Pavlo A. Vashchenko Bohdan V. Dobrydniev Oleksii V. Kuziv Yuliia I. Lampeka Rostyslav D. Popova Mariia V. Chumachenko Vasyl A. popup.nrat_date 2025-07-30 Close