Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters.
| Autor: | Batishchev OV; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Kalutskii MA; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Varlamova EA; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Konstantinova AN; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Makrinsky KI; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Ermakov YA; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Meshkov IN; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Sokolov VS; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia., Gorbunova YG; Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences, Moscow, Russia.; Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russia. |
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| Jazyk: | angličtina |
| Zdroj: | Frontiers in molecular biosciences [Front Mol Biosci] 2023 May 15; Vol. 10, pp. 1192794. Date of Electronic Publication: 2023 May 15 (Print Publication: 2023). |
| DOI: | 10.3389/fmolb.2023.1192794 |
| Abstrakt: | Porphyrins are well-known photosensitizers (PSs) for antibacterial photodynamic therapy (aPDT), which is still an underestimated antibiotic-free method to kill bacteria, viruses, and fungi. In the present work, we developed a comprehensive tool for predicting the structure and assessment of the photodynamic efficacy of PS molecules for their application in aPDT. We checked it on a series of water-soluble phosphorus(V) porphyrin molecules with OH or ethoxy axial ligands and phenyl/pyridyl peripheral substituents. First, we used biophysical approaches to show the effect of PSs on membrane structure and their photodynamic activity in the lipid environment. Second, we developed a force field for studying phosphorus(V) porphyrins and performed all-atom molecular dynamics simulations of their interactions with bacterial lipid membranes. Finally, we obtained the structure-activity relationship for the antimicrobial activity of PSs and tested our predictions on two models of Gram-negative bacteria, Escherichia coli and Acinetobacter baumannii . Our approach allowed us to propose a new PS molecule, whose MIC Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest. (Copyright © 2023 Batishchev, Kalutskii, Varlamova, Konstantinova, Makrinsky, Ermakov, Meshkov, Sokolov and Gorbunova.) |
| Databáze: | MEDLINE |
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