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Anti-Bacterial Agents

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Leveraging Graph Neural Networks for MIC Prediction in Antimicrobial Resistance Studies.

Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference
Antimicrobial resistance (AMR) poses a significant challenge in healthcare and public health, with organisms such as nontyphoidal Salmonella leading the way due to their escalating resistance to antimicrobial agents. This situation severely complicat...

Machine learning for predicting antimicrobial resistance in critical and high-priority pathogens: A systematic review considering antimicrobial susceptibility tests in real-world healthcare settings.

PloS one
BACKGROUND: Antimicrobial resistance (AMR) poses a worldwide health threat; quick and accurate identification of AMR enhances patient outcomes and reduces inappropriate antibiotic usage. The objective of this systematic review is to evaluate the effi...

New solutions for antibiotic discovery: Prioritizing microbial biosynthetic space using ecology and machine learning.

PLoS biology
With the explosive increase in genome sequence data, perhaps the major challenge in natural-product-based drug discovery is the identification of gene clusters most likely to specify new chemistry and bioactivities. We discuss the challenges and stat...

Targeting Bacterial RNA Polymerase: Harnessing Simulations and Machine Learning to Design Inhibitors for Drug-Resistant Pathogens.

Biochemistry
The increase in antimicrobial resistance presents a major challenge in treating bacterial infections, underscoring the need for innovative drug discovery approaches and novel inhibitors. Bacterial RNA polymerase (RNAP) has emerged as a crucial target...

A machine learning method for predicting molecular antimicrobial activity.

Scientific reports
In response to the increasing concern over antibiotic resistance and the limitations of traditional methods in antibiotic discovery, we introduce a machine learning-based method named MFAGCN. This method predicts the antimicrobial efficacy of molecul...

Machine Learning-Based Discovery of a Novel Noncovalent MurA Inhibitor as an Antibacterial Agent.

Chemical biology & drug design
The bacterial cell wall is crucial for maintaining the integrity of bacterial cells. UDP-N-acetylglucosamine 1-carboxyethylene transferase (MurA) is an important enzyme involved in bacterial cell wall synthesis. Therefore, it is an important target f...

Machine learning-assisted ratiometric fluorescence sensor array for recognition of multiple quinolones antibiotics.

Food chemistry
Developing analytical methods for simultaneous detection of multiple antibiotic residues is crucial for environmental protection and human health. In this study, a dual lanthanide fluorescence probe (GDP-Eu-Tb) based on nucleotides has been designed....

DRAMMA: a multifaceted machine learning approach for novel antimicrobial resistance gene detection in metagenomic data.

Microbiome
BACKGROUND: Antibiotics are essential for medical procedures, food security, and public health. However, ill-advised usage leads to increased pathogen resistance to antimicrobial substances, posing a threat of fatal infections and limiting the benefi...

Deep-Learning-Based Approaches for Rational Design of Stapled Peptides With High Antimicrobial Activity and Stability.

Microbial biotechnology
Antimicrobial peptides (AMPs) face stability and toxicity challenges in clinical use. Stapled modification enhances their stability and effectiveness, but its application in peptide design is rarely reported. This study built ten prediction models fo...

An AI-Based Clinical Decision Support System for Antibiotic Therapy in Sepsis (KINBIOTICS): Use Case Analysis.

JMIR human factors
BACKGROUND: Antimicrobial resistances pose significant challenges in health care systems. Clinical decision support systems (CDSSs) represent a potential strategy for promoting a more targeted and guideline-based use of antibiotics. The integration o...