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Isobonducellin phytocompound from Artemisia annua L. plant exhibits anti-colorectal cancer activity via AKT1 regulation: an in-silico study
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DOI：10.1016/j.compbiomed.2026.111854.png)
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Abstract
En 中文
• A. annua phytochemicals were screened against colorectal cancer targets. • Network pharmacology identified AKT1 as a key therapeutic target. • Isobonducellin showed stable AKT1 binding in 200 ns MD simulation. • DFT, PCA, DCCM and MM-GBSA supported isobonducellin stability. • Wet-lab validation is needed to confirm anti-colorectal cancer activity.
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