<i>In silico</i> structural analysis of carbapenemase variants in <i>Klebsiella pneumoni</i> ae: insights for precision drug discovery against multidrug-resistant strains

These results reinforce that <i>Klebsiella pneumoniae</i> carbapenemases are not interchangeable targets and that inhibitor design must account for family-specific active-site geometries and dynamics. Integrating such structural insight with future virtual screening and experimental validation could enable variant-tailored inhibitors rather than relying on a single broad-spectrum carbapenemase blocker.

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Publication Details

Journal
Expert Opinion on Drug Discovery
Published
2025-12-23
DOI
https://doi.org/10.1080/17460441.2025.2605356
Primary Topic
Antibiotic Resistance in Bacteria
Type
article
Field-Weighted Citation Impact
0.00
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article

In silico structural analysis of carbapenemase variants in Klebsiella pneumoni ae: insights for precision drug discovery against multidrug-resistant strains

Emad Abada, Abdullah Mashraqi, Asmaa A. Alharbi, Norah S. Alothman et al.
Expert Opinion on Drug Discovery
Antibiotic Resistance in Bacteria
article

In silico structural analysis of carbapenemase variants in Klebsiella pneumoni ae: insights for precision drug discovery against multidrug-resistant strains

Emad Abada, Abdullah Mashraqi, Asmaa A. Alharbi, Norah S. Alothman, Amani Alhejely
article en

Abstract

These results reinforce that <i>Klebsiella pneumoniae</i> carbapenemases are not interchangeable targets and that inhibitor design must account for family-specific active-site geometries and dynamics. Integrating such structural insight with future virtual screening and experimental validation could enable variant-tailored inhibitors rather than relying on a single broad-spectrum carbapenemase blocker.

Expert Opinion on Drug DiscoveryVol. 21(1)
Jazan University (SA)
Good health and well-being
Openalex Percentile: Top 46%
Antibiotic Resistance in Bacteria
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