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Main Authors: Guo, Yan, Liu, Chenyu, Liu, Wandong, Zhang, Chen, Liu, Zhiying, Wan, Shengbiao, Xu, Ximing, Chen, Sheng, Qiu, Jiazhang
Format: Artículo científico
Language:en
Published: Journal of medicinal chemistry 2025
Subjects:
Online Access:https://pubmed.ncbi.nlm.nih.gov/41229169/
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author Guo, Yan
Liu, Chenyu
Liu, Wandong
Zhang, Chen
Liu, Zhiying
Wan, Shengbiao
Xu, Ximing
Chen, Sheng
Qiu, Jiazhang
author_facet Guo, Yan
Liu, Chenyu
Liu, Wandong
Zhang, Chen
Liu, Zhiying
Wan, Shengbiao
Xu, Ximing
Chen, Sheng
Qiu, Jiazhang
Guo, Yan
Liu, Chenyu
Liu, Wandong
Zhang, Chen
Liu, Zhiying
Wan, Shengbiao
Xu, Ximing
Chen, Sheng
Qiu, Jiazhang
collection PubMed - marine biology
contents Structure-Directed Optimization of Ebselen Derivatives as Potent NDM-1 Inhibitors Reverses Meropenem Resistance. Guo, Yan Liu, Chenyu Liu, Wandong Zhang, Chen Liu, Zhiying Wan, Shengbiao Xu, Ximing Chen, Sheng Qiu, Jiazhang Isoindoles beta-Lactamases Organoselenium Compounds Microbial Sensitivity Tests Animals beta-Lactamase Inhibitors Structure-Activity Relationship Meropenem Azoles Anti-Bacterial Agents Mice Humans Drug Resistance, Bacterial Escherichia coli "Superbugs" harboring the New Delhi metallo-β-lactamase-1 (NDM-1) have disseminated globally, posing a severe threat to the clinical efficacy of β-lactam antibiotics. Developing NDM-1 inhibitors to restore the efficacy of β-lactam antibiotics against resistant bacteria is critically important. Using ebselen as a lead, we designed and synthesized 59 novel derivatives to develop potent NDM-1 inhibitors. Among them, compound demonstrated the most potent NDM-1 inhibitory activity with an IC value of 1.12 μM. The combination of and Mem reduced the minimum inhibitory concentration (MIC) of Mem by 4-16-fold in NDM-1-producing isolates. Importantly, the combination of and Mem effectively suppressed the bacterial loads in mice. Mechanistically, effectively inhibits the activity of NDM-1 by forming a Se-S covalent bond with the NDM-1 protein. Collectively, these findings confirm that compound is an excellent NDM-1 covalent inhibitor, offering a promising lead compound for addressing bacterial resistance driven by NDM-1.
format Artículo científico
id pubmed_41229169
institution PubMed
language en
publishDate 2025
publisher Journal of medicinal chemistry
record_format pubmed
spellingShingle Structure-Directed Optimization of Ebselen Derivatives as Potent NDM-1 Inhibitors Reverses Meropenem Resistance.
Guo, Yan
Liu, Chenyu
Liu, Wandong
Zhang, Chen
Liu, Zhiying
Wan, Shengbiao
Xu, Ximing
Chen, Sheng
Qiu, Jiazhang
Isoindoles
beta-Lactamases
Organoselenium Compounds
Microbial Sensitivity Tests
Animals
beta-Lactamase Inhibitors
Structure-Activity Relationship
Meropenem
Azoles
Anti-Bacterial Agents
Mice
Humans
Drug Resistance, Bacterial
Escherichia coli
Structure-Directed Optimization of Ebselen Derivatives as Potent NDM-1 Inhibitors Reverses Meropenem Resistance. Guo, Yan Liu, Chenyu Liu, Wandong Zhang, Chen Liu, Zhiying Wan, Shengbiao Xu, Ximing Chen, Sheng Qiu, Jiazhang Isoindoles beta-Lactamases Organoselenium Compounds Microbial Sensitivity Tests Animals beta-Lactamase Inhibitors Structure-Activity Relationship Meropenem Azoles Anti-Bacterial Agents Mice Humans Drug Resistance, Bacterial Escherichia coli "Superbugs" harboring the New Delhi metallo-β-lactamase-1 (NDM-1) have disseminated globally, posing a severe threat to the clinical efficacy of β-lactam antibiotics. Developing NDM-1 inhibitors to restore the efficacy of β-lactam antibiotics against resistant bacteria is critically important. Using ebselen as a lead, we designed and synthesized 59 novel derivatives to develop potent NDM-1 inhibitors. Among them, compound demonstrated the most potent NDM-1 inhibitory activity with an IC value of 1.12 μM. The combination of and Mem reduced the minimum inhibitory concentration (MIC) of Mem by 4-16-fold in NDM-1-producing isolates. Importantly, the combination of and Mem effectively suppressed the bacterial loads in mice. Mechanistically, effectively inhibits the activity of NDM-1 by forming a Se-S covalent bond with the NDM-1 protein. Collectively, these findings confirm that compound is an excellent NDM-1 covalent inhibitor, offering a promising lead compound for addressing bacterial resistance driven by NDM-1.
title Structure-Directed Optimization of Ebselen Derivatives as Potent NDM-1 Inhibitors Reverses Meropenem Resistance.
topic Isoindoles
beta-Lactamases
Organoselenium Compounds
Microbial Sensitivity Tests
Animals
beta-Lactamase Inhibitors
Structure-Activity Relationship
Meropenem
Azoles
Anti-Bacterial Agents
Mice
Humans
Drug Resistance, Bacterial
Escherichia coli
url https://pubmed.ncbi.nlm.nih.gov/41229169/