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beta-Lactamases

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Molecular mechanisms of antibiotic co-resistance among carbapenem resistant Acinetobacter baumannii.

Journal of infection in developing countries
INTRODUCTION: The spread of carbapenem-resistant Acinetobacter baumannii (CRAB) is difficult to control especially in the hospitals due to the successful mobilization and evolution of the genetic elements harboring the resistant determinants. The stu...

Applications of machine-learning methods for the discovery of NDM-1 inhibitors.

Chemical biology & drug design
The emergence of New Delhi metal beta-lactamase (NDM-1)-producing bacteria and their worldwide spread pose great challenges for the treatment of drug-resistant bacterial infections. These bacteria can hydrolyze most β-lactam antibacterials. Unfortuna...

Amplification Curve Analysis: Data-Driven Multiplexing Using Real-Time Digital PCR.

Analytical chemistry
Information about the kinetics of PCR reactions is encoded in the amplification curve. However, in digital PCR (dPCR), this information is typically neglected by collapsing each amplification curve into a binary output (positive/negative). Here, we d...

Evolutionary insights into the active-site structures of the metallo-β-lactamase superfamily from a classification study with support vector machine.

Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry
The metallo-β-lactamase (MβL) superfamily, which is intriguing due to its enzyme promiscuity, is a good model enzyme superfamily for studies of catalytic function evolution. Our previous study traced the evolution of the phosphotriesterase activity o...

Deep learning model for prediction of extended-spectrum beta-lactamase (ESBL) production in community-onset Enterobacteriaceae bacteraemia from a high ESBL prevalence multi-centre cohort.

European journal of clinical microbiology & infectious diseases : official publication of the European Society of Clinical Microbiology
Adequate empirical antimicrobial coverage is instrumental in clinical management of community-onset Enterobacteriaceae bacteraemia in areas with high ESBL prevalence, while balancing the risk of carbapenem overuse and emergence of carbapenem-resistan...

HMD-ARG: hierarchical multi-task deep learning for annotating antibiotic resistance genes.

Microbiome
BACKGROUND: The spread of antibiotic resistance has become one of the most urgent threats to global health, which is estimated to cause 700,000 deaths each year globally. Its surrogates, antibiotic resistance genes (ARGs), are highly transmittable be...

Low-N protein engineering with data-efficient deep learning.

Nature methods
Protein engineering has enormous academic and industrial potential. However, it is limited by the lack of experimental assays that are consistent with the design goal and sufficiently high throughput to find rare, enhanced variants. Here we introduce...

Evaluation of the VITEK 2 Advanced Expert System performance for predicting resistance mechanisms in Enterobacterales acquired from a hospital-based screening program.

Pathology
There is limited literature examining the accuracy of the VITEK 2 Advanced Expert System (AES) in characterisation of β-lactamase resistance patterns. We present a prospective single centre study to better ascertain the performance characteristics of...

DeepBL: a deep learning-based approach for in silico discovery of beta-lactamases.

Briefings in bioinformatics
Beta-lactamases (BLs) are enzymes localized in the periplasmic space of bacterial pathogens, where they confer resistance to beta-lactam antibiotics. Experimental identification of BLs is costly yet crucial to understand beta-lactam resistance mechan...

ECNet is an evolutionary context-integrated deep learning framework for protein engineering.

Nature communications
Machine learning has been increasingly used for protein engineering. However, because the general sequence contexts they capture are not specific to the protein being engineered, the accuracy of existing machine learning algorithms is rather limited....