Integrated affinity ultrafiltration UHPLC-QE-Orbitrap-MS and molecular docking for efficient screening of aurora
Jieyao Ma1, Yalan Wu1, Yufeng Zou1
1School of Pharmaceutical Sciences, Hunan University of Medicine, Huaihua, China.
Impact Statement:
Aurora kinase A (AURKA) is a key therapeutic target for cancer, and natural products from medicinal plants are important sources for developing targeted inhibitors. This study screened and identified high-affinity AURKA ligands from Eomecon chionantha Hance root extract, with molecular docking and molecular dynamics verifying their stable binding ability. These natural ligands, especially the alkaloid protopine with favorable binding energy, provide promising candidates for the development of AURKA-targeted cancer inhibitors, and offer valuable references for the research and translation of natural product-based anti-cancer drugs.
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