ArticleFrontiers in nutrition2025
Screening for dual-target enzyme inhibitors derived from
Article in Frontiers in nutrition, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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9 authors.
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Abstract
Introduction: Methods: To efficiently and accurately screen active compounds, receptor-ligand affinity ultrafiltration coupled with enzyme kinetics was used for rapid identification and characterization. Biochemical assays validated the inhibitory activities and mechanisms of the compounds, while molecular docking and molecular dynamics simulations evaluated target binding affinity and stability at the atomic level. An offline two-dimensional chromatographic method was developed to overcome the limitations of conventional countercurrent chromatography, enhancing peak capacity, and separation efficiency. Results: Seven active compounds were successfully isolated and identified from Discussion: This study integrates advanced screening, optimized extraction, and rigorous bioactivity assessment to elucidate the active components of
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