Screening and Isolation of Potential Anti-Inflammatory Compounds from Saxifraga atrata via Affinity Ultrafiltration-HPLC and Multi-Target Molecular Docking Analyses

NWIPB OpenIR

	Screening and Isolation of Potential Anti-Inflammatory Compounds from Saxifraga atrata via Affinity Ultrafiltration-HPLC and Multi-Target Molecular Docking Analyses
	Li, G; Fang, Y; Ma, YG; Dawa, Y; Wang, QL; Gan, J; Dang, J
	2022
发表期刊	NUTRIENTS
卷号	14 期号:12
摘要	In this study, a 100 g sample of Saxifraga atrata was processed to separate 1.3 g of 11-O-(4'-O-methylgalloyl)-bergenin (Fr1) after 1 cycle of MCI GEL (R) CHP20P medium pressure liquid chromatography using methanol/water. Subsequently, COX-2 affinity ultrafiltration coupled with reversed-phase liquid chromatography was successfully used to screen for potential COX-2 ligands in this target fraction (Fr1). After 20 reversed-phase liquid chromatography runs, 74.1 mg of >99% pure 11-O-(4'-O-methylgalloye-bergenin (Fr11) was obtained. In addition, the anti-inflammatory activity of 11-O-(4'-O-methylgalloyl)-bergenin was further validated through molecular docking analyses which suggested it was capable of binding strongly to ALOX15, iNOS, ERBB2, SELE, and NF-kappa B. As such, the AA metabolism, MAPK, and NF-kappa B signaling pathways were hypothesized to be the main pathways through which 11-O-(4'-O-methylgalloyl)-bergenin regulates inflammatory responses, potentially functioning by reducing pro-inflammatory cytokine production, blocking pro-inflammatory factor binding to cognate receptors and inhibiting the expression of key proteins. In summary, affinity ultrafiltration-HPLC coupling technology can rapidly screen for multi-target bioactive components and when combined with molecular docking analyses, this approach can further elucidate the pharmacological mechanisms of action for these compounds, providing valuable information to guide the further development of new multi-target drugs derived from natural products.
收录类别	SCIE
文献类型	期刊论文
条目标识符	http://210.75.249.4/handle/363003/61195
专题	中国科学院西北高原生物研究所
推荐引用方式 GB/T 7714	Li, G,Fang, Y,Ma, YG,et al. Screening and Isolation of Potential Anti-Inflammatory Compounds from Saxifraga atrata via Affinity Ultrafiltration-HPLC and Multi-Target Molecular Docking Analyses[J]. NUTRIENTS,2022,14(12).
APA	Li, G.,Fang, Y.,Ma, YG.,Dawa, Y.,Wang, QL.,...&Dang, J.(2022).Screening and Isolation of Potential Anti-Inflammatory Compounds from Saxifraga atrata via Affinity Ultrafiltration-HPLC and Multi-Target Molecular Docking Analyses.NUTRIENTS,14(12).
MLA	Li, G,et al."Screening and Isolation of Potential Anti-Inflammatory Compounds from Saxifraga atrata via Affinity Ultrafiltration-HPLC and Multi-Target Molecular Docking Analyses".NUTRIENTS 14.12(2022).