Thiol-functionalized MOFs for precision drug delivery: Raman hyperspectral imaging and density functional theory analysis into antifungal therapy

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F25%3A00642201" target="_blank" >RIV/61388963:_____/25:00642201 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61989592:15640/25:73632697 RIV/61989100:27740/25:10259411 RIV/61989100:27640/25:10259411

Výsledek na webu

<a href="https://doi.org/10.1016/j.apmt.2025.102992" target="_blank" >https://doi.org/10.1016/j.apmt.2025.102992</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.apmt.2025.102992" target="_blank" >10.1016/j.apmt.2025.102992</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Thiol-functionalized MOFs for precision drug delivery: Raman hyperspectral imaging and density functional theory analysis into antifungal therapy

Popis výsledku v původním jazyce

Metal-organic frameworks (MOFs) have emerged as promising drug delivery carriers due to their unique properties, enabling efficient encapsulation and controlled release of therapeutic agents. Here we designed thiol-functionalized Zr-based biocompatible MOF, UiO-66-SH2 (Universitetet i Oslo) comprised of ZrCl4 with 2,5-dimercapto-1,4-benzenedicarboxylic acid (H2MBDC) under solvothermal conditions, for efficient intracellular drug delivery of Terbinafine (TH), an antifungal agent. The structural features, coordination environment, and textural properties of UiO-66-SH₂ and UiO-66-SH₂@TH were comprehensively characterized through powder X-ray diffraction (PXRD), Fourier-transform infrared spectroscopy (FT-IR), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), Brunauer–Emmett–Teller (BET) surface area analysis, dynamic light scattering (DLS), and advanced microscopic techniques. To address this challenge, TH was encapsulated at 5 µg/mL into UiO-66-SH nanoparticles to enhance antifungal efficacy using a concentration optimized for local delivery for intralesional therapy of Onychomycosis. In vitro release studies revealed a pH-responsive behavior, with ∼75 % release at pH 5.0 after 48 h compared to ∼42 % at pH 7.4, indicating controlled and sustained release in physiological conditions. Furthermore, Raman micro-spectroscopy was employed as a label-free technique to monitor drug localization and cellular interactions at the single-cell level. The results demonstrated increased intracellular retention of TH in fission yeast (Schizosaccharomyces pombe) when delivered via UiO-66-SH2 compared to direct administration. Raman imaging revealed enhanced lipid accumulation and mitochondrial activity in treated cells, indicating improved drug-membrane interactions and potential mitochondrial targeting. Furthermore, density functional theory (DFT) suggested weak direct binding between UiO-66-SH2 and TH but highlighted electronic perturbations upon interaction with cytochrome-C, potentially influencing antifungal activity. These results underscore the promise of MOF-based carriers for targeted drug delivery and highlight Raman microspectroscopy as a powerful, noninvasive analytical tool.

Název v anglickém jazyce

Thiol-functionalized MOFs for precision drug delivery: Raman hyperspectral imaging and density functional theory analysis into antifungal therapy

Popis výsledku anglicky

Metal-organic frameworks (MOFs) have emerged as promising drug delivery carriers due to their unique properties, enabling efficient encapsulation and controlled release of therapeutic agents. Here we designed thiol-functionalized Zr-based biocompatible MOF, UiO-66-SH2 (Universitetet i Oslo) comprised of ZrCl4 with 2,5-dimercapto-1,4-benzenedicarboxylic acid (H2MBDC) under solvothermal conditions, for efficient intracellular drug delivery of Terbinafine (TH), an antifungal agent. The structural features, coordination environment, and textural properties of UiO-66-SH₂ and UiO-66-SH₂@TH were comprehensively characterized through powder X-ray diffraction (PXRD), Fourier-transform infrared spectroscopy (FT-IR), Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), Brunauer–Emmett–Teller (BET) surface area analysis, dynamic light scattering (DLS), and advanced microscopic techniques. To address this challenge, TH was encapsulated at 5 µg/mL into UiO-66-SH nanoparticles to enhance antifungal efficacy using a concentration optimized for local delivery for intralesional therapy of Onychomycosis. In vitro release studies revealed a pH-responsive behavior, with ∼75 % release at pH 5.0 after 48 h compared to ∼42 % at pH 7.4, indicating controlled and sustained release in physiological conditions. Furthermore, Raman micro-spectroscopy was employed as a label-free technique to monitor drug localization and cellular interactions at the single-cell level. The results demonstrated increased intracellular retention of TH in fission yeast (Schizosaccharomyces pombe) when delivered via UiO-66-SH2 compared to direct administration. Raman imaging revealed enhanced lipid accumulation and mitochondrial activity in treated cells, indicating improved drug-membrane interactions and potential mitochondrial targeting. Furthermore, density functional theory (DFT) suggested weak direct binding between UiO-66-SH2 and TH but highlighted electronic perturbations upon interaction with cytochrome-C, potentially influencing antifungal activity. These results underscore the promise of MOF-based carriers for targeted drug delivery and highlight Raman microspectroscopy as a powerful, noninvasive analytical tool.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/EH22_008%2F0004587" target="_blank" >EH22_008/0004587: Technologie za hranicí nanosvěta</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Applied Materials Today

ISSN

2352-9407

e-ISSN

2352-9407

Svazek periodika

47

Číslo periodika v rámci svazku

December

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

10

Strana od-do

102992

Kód UT WoS článku

001621695500001

EID výsledku v databázi Scopus

2-s2.0-105021927028