The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSA

The pleuromutilin derivative, the compound PL-W, was synthesized by introducing a 4-fluorophenyl group at the C21 position and selected for comprehensive antibacterial evaluation. PL-W demonstrated notable antibacterial activity against methicillin-resistant <i>Staphylococcus aureus</i>...

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Main Authors: Yongfei Wang, Yi Zhao, Haiting Wang, Bo Liu, Shuangyi Zhang, Yuan Liu, Ruinan Li, Tao Zhang, Surong Hasi, Wei Mao
Format: Article
Language:English
Published: MDPI AG 2025-05-01
Series:Molecules
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Online Access:https://www.mdpi.com/1420-3049/30/11/2366
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author Yongfei Wang
Yi Zhao
Haiting Wang
Bo Liu
Shuangyi Zhang
Yuan Liu
Ruinan Li
Tao Zhang
Surong Hasi
Wei Mao
author_facet Yongfei Wang
Yi Zhao
Haiting Wang
Bo Liu
Shuangyi Zhang
Yuan Liu
Ruinan Li
Tao Zhang
Surong Hasi
Wei Mao
author_sort Yongfei Wang
collection DOAJ
description The pleuromutilin derivative, the compound PL-W, was synthesized by introducing a 4-fluorophenyl group at the C21 position and selected for comprehensive antibacterial evaluation. PL-W demonstrated notable antibacterial activity against methicillin-resistant <i>Staphylococcus aureus</i> (MRSA), with a minimum inhibitory concentration (MIC) of 0.03125 µg/mL, which is significantly lower than that of tiamulin (0.5 µg/mL). Crystal violet (CV) staining revealed that it inhibited MRSA biofilm formation and electron microscopy revealed that it disrupted bacterial cell division and, possibly, the synthesis of essential cell wall proteins. In both in vivo models, PL-W exhibited excellent performance. In the <i>Galleria mellonella</i> infection model, treatment with different concentrations of PL-W increased the survival rate from 20% to 90% and significantly reduced the bacterial load. In the mouse model of MRSA pneumonia, a 10 mg/kg dose of PL-W increased the survival rate to 70%, decreased the bacterial load in the lungs, and alleviated inflammatory damage. Molecular docking studies indicated that PL-W had a similar docking pose and comparable binding affinity to that of lefamulin, with hydrogen bond interactions that are crucial for binding to the peptidyl transferase center (PTC). Moreover, it demonstrated no significant reduction in cell viability in HepG2 and HEK293 cells, even at high concentrations (≤50 µg/mL). Overall, PL-W shows significant potential as a novel anti-MRSA agent owing to its potent in vitro and in vivo activities and low cytotoxicity.
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spelling doaj-art-d08ac3b105de4b67abba9458d01201952025-08-20T03:11:32ZengMDPI AGMolecules1420-30492025-05-013011236610.3390/molecules30112366The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSAYongfei Wang0Yi Zhao1Haiting Wang2Bo Liu3Shuangyi Zhang4Yuan Liu5Ruinan Li6Tao Zhang7Surong Hasi8Wei Mao9Laboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaShandong Provincial Animal and Poultry Green Health Products Creation Engineering Laboratory, Institute of Poultry Science, Shandong Academy of Agricultural Science, Jinan 250100, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaLaboratory of Veterinary Clinical Pharmacology, College of Veterinary Medicine, Inner Mongolia Agricultural University, No. 29, Erdosdong Road, Hohhot 010011, ChinaThe pleuromutilin derivative, the compound PL-W, was synthesized by introducing a 4-fluorophenyl group at the C21 position and selected for comprehensive antibacterial evaluation. PL-W demonstrated notable antibacterial activity against methicillin-resistant <i>Staphylococcus aureus</i> (MRSA), with a minimum inhibitory concentration (MIC) of 0.03125 µg/mL, which is significantly lower than that of tiamulin (0.5 µg/mL). Crystal violet (CV) staining revealed that it inhibited MRSA biofilm formation and electron microscopy revealed that it disrupted bacterial cell division and, possibly, the synthesis of essential cell wall proteins. In both in vivo models, PL-W exhibited excellent performance. In the <i>Galleria mellonella</i> infection model, treatment with different concentrations of PL-W increased the survival rate from 20% to 90% and significantly reduced the bacterial load. In the mouse model of MRSA pneumonia, a 10 mg/kg dose of PL-W increased the survival rate to 70%, decreased the bacterial load in the lungs, and alleviated inflammatory damage. Molecular docking studies indicated that PL-W had a similar docking pose and comparable binding affinity to that of lefamulin, with hydrogen bond interactions that are crucial for binding to the peptidyl transferase center (PTC). Moreover, it demonstrated no significant reduction in cell viability in HepG2 and HEK293 cells, even at high concentrations (≤50 µg/mL). Overall, PL-W shows significant potential as a novel anti-MRSA agent owing to its potent in vitro and in vivo activities and low cytotoxicity.https://www.mdpi.com/1420-3049/30/11/2366pleuromutilin derivativemethicillin-resistant <i>Staphylococcus aureus</i>antibacterial activitymolecular docking
spellingShingle Yongfei Wang
Yi Zhao
Haiting Wang
Bo Liu
Shuangyi Zhang
Yuan Liu
Ruinan Li
Tao Zhang
Surong Hasi
Wei Mao
The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSA
Molecules
pleuromutilin derivative
methicillin-resistant <i>Staphylococcus aureus</i>
antibacterial activity
molecular docking
title The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSA
title_full The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSA
title_fullStr The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSA
title_full_unstemmed The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSA
title_short The Synthesis and Biological Evaluation of a Novel Pleuromutilin Derivative Containing a 4-Fluorophenyl Group Targeting MRSA
title_sort synthesis and biological evaluation of a novel pleuromutilin derivative containing a 4 fluorophenyl group targeting mrsa
topic pleuromutilin derivative
methicillin-resistant <i>Staphylococcus aureus</i>
antibacterial activity
molecular docking
url https://www.mdpi.com/1420-3049/30/11/2366
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