遇见数据集

Supplementary Table S1: Phytochemicals data extracted from IMPPAT

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Figshare2025-04-17 更新2026-04-28 收录
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This study focuses on identifying potential antibacterial phytochemicals in medicinal plants using an in silico approach. We performed molecular docking, ADMET analysis, and 3D interaction visualization to evaluate the binding affinities of selected compounds against MexAB-OprM efflux pump proteins of Pseudomonas aeruginosa. Notably, Beta-Eudesmol, Aromadendrene, and Spathulenol showed strong binding to MexB and OprM subunits, indicating potential as efflux pump inhibitors. Our findings provide valuable insights into plant-based alternatives for combating multidrug resistance.

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2025-04-17
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