AIMC Topic: beta-Lactamases

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CarbaDetector: a machine learning model for detecting carbapenemase-producing Enterobacterales from disk diffusion tests.

Nature communications
Carbapenemase-producing Enterobacterales (CPE) are considered among the highest threats to global health by WHO. Their detection is difficult and time-consuming. We developed a random-forest machine learning (ML) model, CarbaDetector, to predict carb...

Global genomic survey of Kentucky: discovery of a chromosomeborne and the emergence of ST314, an MDR clone mediated by the IncR plasmid.

Emerging microbes & infections
Antimicrobial resistance (AMR) in enterica serotype Kentucky ( Kentucky) is a global challenge, with increasing resistance to cephalosporins, ciprofloxacin, and carbapenems significantly limiting treatment strategies, yet its worldwide dissemination...

Exploring multidrug resistance patterns in community-acquired urinary tract infections with machine learning.

Antimicrobial agents and chemotherapy
While associations of antibiotic resistance traits are not random in multidrug-resistant (MDR) bacteria, clinically relevant resistance patterns remain underexplored. This study used association-set mining to explore resistance associations within i...

A protein dynamics-based deep learning model enhances predictions of fitness and epistasis.

Proceedings of the National Academy of Sciences of the United States of America
Deep learning has advanced our ability to assess the effects that individual mutations have on protein function; however, predicting the complex interplay between two or more mutations remains challenging. Here, we seek to address this challenge by b...

Unravelling mutation patterns in Extended-Spectrum β-Lactamases for precision drug design against AMR in Enterobacteriaceae.

Molecular genetics and genomics : MGG
Antimicrobial resistance (AMR) presents a critical global challenge, causing over 1.27 million deaths annually, with projections reaching 10 million by 2050. Among the most concerning contributors are Enterobacteriaceae, particularly Escherichia coli...

Novel antimicrobial peptide HFIAP-1 mutant as a β-lactamase inhibitor against extended-spectrum β-lactamases of Escherichia coli: a comprehensive in-silico approach.

Archives of microbiology
Extended-spectrum β-lactamases in Escherichia coli poses a significant threat for clinicians in tertiary healthcare settings, rendering treatments ineffective with newer β-lactam-β-lactamase inhibitors combinations. To overcome this, the present stud...

Employing deep mutational scanning in the periplasm to decode the thermodynamic landscape for amyloid formation.

Proceedings of the National Academy of Sciences of the United States of America
Deep mutational scanning (DMS) assays provide a powerful method to generate large-scale datasets essential for advancing AI-driven predictions in biology. The tripartite β-lactamase assay (TPBLA), in which a protein of interest is inserted between tw...

LC-MS/MS metabolomics unravels the resistant phenotype of carbapenemase-producing Enterobacterales.

Metabolomics : Official journal of the Metabolomic Society
INTRODUCTION: The degree of antimicrobial resistance demonstrated by carbapenemase-producing Enterobacterales (CPE) represents a growing public health challenge. Conventional methods for detecting CPE involve culture-based techniques with lengthy inc...

YTK Display-and-Secrete: Screening for Optimal Protein Secretion Elements in .

ACS synthetic biology
Engineering yeast to secrete target proteins requires searching for optimal combinations of promoters and signal peptides so that genes can be composed that give a high expression and efficient secretion. Most methods for this involve laborious, one-...

Structure-based virtual screening, molecular docking, and MD simulation studies: An in-silico approach for identifying potential MBL inhibitors.

PloS one
The global rise of antibiotic-resistant infections has been driven in part by the spread of bacteria producing metallo-β-lactamase (MBL), particularly New Delhi metallo-β-lactamase-1 (NDM-1). Currently, there are no clinically approved inhibitors tar...