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Frontiers in Molecular Biosciences, volume 10

Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters

Batishchev Oleg V. ¹

Kalutskii Maksim A. ¹

Varlamova Ekaterina A ¹

Konstantinova Anna N ¹

Makrinsky Kirill I ¹

Ermakov Yury A ¹

Meshkov Ivan N ¹

Sokolov Valerij S ¹

Gorbunova Yulia G. ^{1, 2}

Hide authors affiliations Show authors affiliations: 2 affiliations

Frumkin Institute of Physical Chemistry and Electrochemistry, Russia |

Kurnakov Institute of General and Inorganic Chemistry, Russia |

Publication type: Journal Article

Publication date: 2023-05-15

Frontiers Media S.A.

Journal: Frontiers in Molecular Biosciences

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Impact factor: 5

ISSN: 2296889X

DOI: 10.3389/fmolb.2023.1192794

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PubMed ID: 37255538

Biochemistry

Molecular Biology

Biochemistry, Genetics and Molecular Biology (miscellaneous)

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.

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Batishchev O. V. et al. Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters // Frontiers in Molecular Biosciences. 2023. Vol. 10.

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Batishchev O. V., Kalutskii M. A., Varlamova E. A., Konstantinova A. N., Makrinsky K. I., Ermakov Y. A., Meshkov I. N., Sokolov V. S., Gorbunova Y. G. Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters // Frontiers in Molecular Biosciences. 2023. Vol. 10.

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RIS Copy

TY - JOUR

DO - 10.3389/fmolb.2023.1192794

UR - https://doi.org/10.3389%2Ffmolb.2023.1192794

TI - Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters

T2 - Frontiers in Molecular Biosciences

AU - Batishchev, Oleg V.

AU - Kalutskii, Maksim A.

AU - Varlamova, Ekaterina A

AU - Konstantinova, Anna N

AU - Makrinsky, Kirill I

AU - Ermakov, Yury A

AU - Meshkov, Ivan N

AU - Sokolov, Valerij S

AU - Gorbunova, Yulia G.

PY - 2023

DA - 2023/05/15 00:00:00

PB - Frontiers Media S.A.

VL - 10

PMID - 37255538

SN - 2296-889X

ER -

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@article{2023_Batishchev,

author = {Oleg V. Batishchev and Maksim A. Kalutskii and Ekaterina A Varlamova and Anna N Konstantinova and Kirill I Makrinsky and Yury A Ermakov and Ivan N Meshkov and Valerij S Sokolov and Yulia G. Gorbunova},

title = {Antimicrobial activity of photosensitizers: arrangement in bacterial membrane matters},

journal = {Frontiers in Molecular Biosciences},

year = {2023},

volume = {10},

publisher = {Frontiers Media S.A.},

month = {may},

url = {https://doi.org/10.3389%2Ffmolb.2023.1192794},

doi = {10.3389/fmolb.2023.1192794}

}

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Publisher

Frontiers Media S.A.

Journal

Frontiers in Molecular Biosciences

Quartile SCImago

Quartile WOS

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2296889X (Electronic)

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Gorbunova, Yuliya Germanovna

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