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Inhibition of MurA enzyme from Escherichia coli and Staphylococcus aureus by diterpenes from Lepechinia meyenii and their synthetic analogs
ID Funes Chabán, Macarena (Author), ID Hrast, Martina (Author), ID Frlan, Rok (Author), ID Graikioti, Dafni G. (Author), ID Athanassopoulos, Constantinos M.  (Author), ID Carpinella, María Cecilia (Author)

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Abstract
Enzymes MurA and MurF, involved in bacterial cell wall synthesis, have been validated as targets for the discovery of novel antibiotics. A panel of plant-origin antibacterial diterpenes and synthetic analogs derived therefrom were investigated for their inhibitory properties on these enzymes from Escherichia coli and Staphylococcus aureus. Six compounds were proven to be effective for inhibiting MurA from both bacteria, with IC$_{50}$ values ranging from 1.1 to 25.1 µM. To further mechanistically investigate the nature of binding and to explain the activity, these compounds were docked into the active site of MurA from E. coli. The aromatic ring of the active compounds showed a T-shaped π–π interaction with the phenyl ring of Phe328, and at least one hydrogen bond was formed between the hydroxy groups and Arg120 and/or Arg91. The results disclosed here establish new chemical scaffolds for the development of novel entities targeting MurA as potential antibiotics to combat the threat of pathogenic bacteria, particularly resistant strains.

Language:English
Keywords:dehydroabietane derivatives, diterpenes, MurA inhibitors, MurF inhibitors, Staphylococcus aureus MurA, Escherichia coli MurA
Work type:Article
Typology:1.01 - Original Scientific Article
Organization:FFA - Faculty of Pharmacy
Publication status:Published
Publication version:Version of Record
Year:2021
Number of pages:15 str.
Numbering:Vol. 10, iss. 12, art. 1535
PID:20.500.12556/RUL-136941 This link opens in a new window
UDC:543.645.7:615.3
ISSN on article:2079-6382
DOI:10.3390/antibiotics10121535 This link opens in a new window
COBISS.SI-ID:98673411 This link opens in a new window
Publication date in RUL:25.05.2022
Views:561
Downloads:77
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Record is a part of a journal

Title:Antibiotics
Shortened title:Antibiotics
Publisher:MDPI
ISSN:2079-6382
COBISS.SI-ID:522975769 This link opens in a new window

Licences

License:CC BY 4.0, Creative Commons Attribution 4.0 International
Link:http://creativecommons.org/licenses/by/4.0/
Description:This is the standard Creative Commons license that gives others maximum freedom to do what they want with the work as long as they credit the author.
Licensing start date:15.12.2021

Secondary language

Language:Slovenian
Keywords:derivati dehidroabietana, diterpeni, zaviralci MurA, zaviralci MurF, bakterijske celice, protibakterijsko delovanje, odporni sevi, antibiotiki

Projects

Funder:Other - Other funder or multiple funders
Funding programme:Catholic University of Córdoba

Funder:Other - Other funder or multiple funders
Funding programme:CONICET, PIP

Funder:Other - Other funder or multiple funders
Funding programme:FONCyT
Project number:PICT 2017-1381

Funder:Other - Other funder or multiple funders
Funding programme:FONCyT
Project number:PICT 2019-2019-00721

Funder:Other - Other funder or multiple funders
Funding programme:University of Patras

Funder:ARRS - Slovenian Research Agency
Project number:P1-0208
Name:Farmacevtska kemija: načrtovanje, sinteza in vrednotenje učinkovin

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