Journal of chemical information and modeling
Dec 23, 2025
Antimicrobial peptides have emerged as a potential alternative to traditional small-molecule antimicrobials. They possess broad-spectrum efficacy and increasingly confront the challenges of bacterial resistance, especially the adaptive resistance of ...
Antimicrobial agents and chemotherapy
Dec 10, 2025
Dalbavancin is a long-acting lipoglycopeptide increasingly used off-label for complex Gram-positive infections requiring prolonged therapy. Its extended half-life enables simplified regimens, but interindividual pharmacokinetic variability and pathog...
The escalating global crisis of multidrug-resistant (MDR) bacteria demands innovative strategies that bypass conventional antibiotic limitations. This study introduced a multifunctional Au@CuSe core-shell nanoplatform integrating artificial intellige...
UNLABELLED: Matrix-assisted laser desorption-ionization-time of flight (MALDI-TOF) mass spectra can be used to predict antimicrobial resistance (AMR) using machine learning (ML). This study aimed to validate the performance of ML models for AMR predi...
Antimicrobial resistance (AMR) is a global health concern that complicates the effective treatment of infections, resulting in an increased severity of illness and elevated healthcare costs. Traditional phenotypic antimicrobial susceptibility testing...
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...
The escalating global threat of antimicrobial resistance (AMR) necessitates a paradigm shift towards rapid and scalable diagnostic technologies. Conventional antimicrobial susceptibility testing (AST) methods, while reliable, are hindered by prolonge...
Journal of chemical information and modeling
Nov 9, 2025
Understanding the structure-activity relationship (SAR) of antibiotic scaffolds is crucial for the development of antibiotics to counter the growing crisis of antimicrobial resistant bacteria. However, an overwhelming space of structural features imp...
Journal of chemical information and modeling
Nov 6, 2025
Increasing concerns regarding prolonged antibiotic usage have spurred the search for alternative treatments. Antimicrobial peptides (AMPs), first discovered in the 1980s, have exhibited significant potential against a broad range of bacteria. Short-s...
Journal of computer-aided molecular design
Nov 4, 2025
Antimicrobial resistance (AMR) remains a global health crisis, necessitating the development of novel therapeutics against multidrug-resistant pathogens. In this study, ten (10) hybrid imine-benzalacetophenone derivatives (7a-7j), incorporating pyrid...
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