Integrated metabolomics, network pharmacology and molecular docking to characterize differences associated with geographical origin and subspecies on the antioxidant and α-glucosidase inhibition activity of sea buckthorn (Hippophae rhamnoides L.)
Abstract
IntroductionSea buckthorn (Hippophae rhamnoides L.) (SB) is a food-medicine homologous berry with well-recognized antioxidant and hypoglycemic potential. However, the influence of geographical origin and subspecies on its chemical composition and bioactivity remains incompletely understood.MethodsIn this study, untargeted metabolomics, network pharmacology, and molecular docking were integrated to characterize the metabolite profiles of SB berries harvested from Shanxi, Inner Mongolia, and Xinjiang, China, and to elucidate the mechanisms underlying their differential bioactivities.Results and discussionA total of 1,608 metabolites were annotated, and multivariate statistical analyses (PCA and OPLS-DA) revealed pronounced metabolic divergence among the three origins. The SB from Inner Mongolia (MG) exhibited the strongest activities in vitro antioxidant capacity (DPPH, ABTS, and FRAP assays) and α-glucosidase inhibitory capacity. This might be due to differences in subspecies and the dry and cold climate conditions in Inner Mongolia. Network pharmacology analysis found that the key proteins, including GAPDH, AKT1, TNF, IL-6, TP53 and EGFR, were might combined with core compounds of SB, such as 3,4-di-O-methylellagic acid. These findings preliminarily found how geographical origin and subspecies influenced the metabolite composition and bioactivity of SBs and provided a theoretical basis for the development of origin-specific functional foods.
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BibTeX
@article{qiu2026integrated,
title = {{Integrated metabolomics, network pharmacology and molecular docking to characterize differences associated with geographical origin and subspecies on the antioxidant and α-glucosidase inhibition activity of sea buckthorn (Hippophae rhamnoides L.)}},
author = {Xuenan Qiu and Jingjing Wang},
journal = {Frontiers in Plant Science},
year = {2026},
month = nov,
doi = {10.3389/fpls.2026.1982108},
url = {https://www.frontiersin.org/articles/10.3389/fpls.2026.1982108},
note = {CC BY 4.0},
}
RIS
TY - JOUR
TI - Integrated metabolomics, network pharmacology and molecular docking to characterize differences associated with geographical origin and subspecies on the antioxidant and α-glucosidase inhibition activity of sea buckthorn (Hippophae rhamnoides L.)
AU - Xuenan Qiu
AU - Jingjing Wang
PY - 2026
DA - 2026/11/04
JO - Frontiers in Plant Science
DO - 10.3389/fpls.2026.1982108
UR - https://www.frontiersin.org/articles/10.3389/fpls.2026.1982108
AB - IntroductionSea buckthorn (Hippophae rhamnoides L.) (SB) is a food-medicine homologous berry with well-recognized antioxidant and hypoglycemic potential. However, the influence of geographical origin and subspecies on its chemical composition and bioactivity remains incompletely understood.MethodsIn this study, untargeted metabolomics, network pharmacology, and molecular docking were integrated to characterize the metabolite profiles of SB berries harvested from Shanxi, Inner Mongolia, and Xinjiang, China, and to elucidate the mechanisms underlying their differential bioactivities.Results and discussionA total of 1,608 metabolites were annotated, and multivariate statistical analyses (PCA and OPLS-DA) revealed pronounced metabolic divergence among the three origins. The SB from Inner Mongolia (MG) exhibited the strongest activities in vitro antioxidant capacity (DPPH, ABTS, and FRAP assays) and α-glucosidase inhibitory capacity. This might be due to differences in subspecies and the dry and cold climate conditions in Inner Mongolia. Network pharmacology analysis found that the key proteins, including GAPDH, AKT1, TNF, IL-6, TP53 and EGFR, were might combined with core compounds of SB, such as 3,4-di-O-methylellagic acid. These findings preliminarily found how geographical origin and subspecies influenced the metabolite composition and bioactivity of SBs and provided a theoretical basis for the development of origin-specific functional foods.
SN - 1664-462X
ER -