AIMC Topic: beta-Lactamase Inhibitors
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A dataset for machine learning-based QSAR models establishment to screen beta-lactamase inhibitors using the FARM -BIOMOL chemical library.
BMC research notes
Mar 3, 2025
OBJECTIVES: Beta-lactamase is a bacterial enzyme that deactivates beta-lactam antibiotics, and it is one of the leading causes of antibiotic resistance problems globally. In current drug discovery research, molecular simulation, like molecular dockin...
Machine Learning Models Identify Inhibitors of New Delhi Metallo-β-lactamase.
Journal of chemical information and modeling
May 10, 2024
The worldwide spread of the metallo-β-lactamases (MBL), especially New Delhi metallo-β-lactamase-1 (NDM-1), is threatening the efficacy of β-lactams, which are the most potent and prescribed class of antibiotics in the clinic. Currently, FDA-approved...
Applications of machine-learning methods for the discovery of NDM-1 inhibitors.
Chemical biology & drug design
Jun 20, 2020
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...
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