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Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters.


ABSTRACT: 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 MIC50 values after an extremely low light dose of 5 J/cm2 (5.0 ± 0.4 μg/mL for E. coli and 4.9 ± 0.8 μg/mL for A. baumannii) exceeded those for common antibiotics, making it a prospective antimicrobial agent.

SUBMITTER: Batishchev OV 

PROVIDER: S-EPMC10226669 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature

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Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters.

Batishchev Oleg V OV   Kalutskii Maksim A MA   Varlamova Ekaterina A EA   Konstantinova Anna N AN   Makrinsky Kirill I KI   Ermakov Yury A YA   Meshkov Ivan N IN   Sokolov Valerij S VS   Gorbunova Yulia G YG  

Frontiers in molecular biosciences 20230515


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 periphe  ...[more]

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