Understanding the impact of antibiotics on bacterial metabolism is crucial for elucidating their mechanisms of action and developing more effective therapeutic strategies. β-lactam antibiotics, ...

AgeXtend is a multimodal, bioactivity-based, and mechanism-backed Explainable AI Predictor for geroprotectors. AgeXtend supports 2 distinct work packages: Predictor and Browser. The first work package ...

ECMDB, a dedicated database for E. coli metabolomic data, is established (Guo et al., 2012), but the datasets included in ECMDB are not on the preferred RPP strain BL21, and study objectives are ...

Biocatalytic C–H activation has the potential to merge enzymatic and synthetic strategies for bond formation. FeII/αKG-dependent halogenases are pa ...

Achieving cellular uptake is a central challenge for novel antibiotics targeting Gram-negative bacterial pathogens. One strategy is to hijack the bacterial iron transport system by ...

Retip is a tool for predicting Retention Time (RT) for small molecules in a high pressure liquid chromatography (HPLC) Mass Spectrometry analysis, available as both an R package and a Python package.

Chemical isotope labeling (CIL) liquid chromatography mass spectrometry (LC-MS) is a powerful technique for in-depth metabolome analysis with high quantification accuracy. Unlike conventional LC-MS, ...

Defining our earliest studies of metabolism is a difficult, somewhat nebulous, and subjective task. One of us has previously taken the 13th century philosophical musings of Ibn al-Nafis who stated ...

Recent technological advances in accurate mass spectrometry and data analysis have revolutionized metabolomics experimentation. Activity‐based and global metabolomic profiling methods allow ...