A Joint Analysis of Metabolomics, Network Pharmacology, and Molecular Docking Reveals the Efficacy Patterns in Various Medicinal Segments of Angelica sinensis (Oliv.) Diels Root
Xiaopeng Guo, Xuee Li, Shengli Zhang, Shuhua Zhu, Rong Guo, Yue Gao, Yonggang Wang, Xiaofeng Liu, Yan Liu, Hao Shi
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引用次数: 0
Abstract
Angelica sinensis (Oliv.) Diels root (ASR) is a medicinal and edible traditional Chinese herb medicine. Understanding the varying efficacies in different ASR segments and their associated pharmacological mechanisms at the metabolome level has been a largely unexplored research area. This study integrates metabolomics, network pharmacology, and molecular docking to investigate the characteristics and mechanisms underlying hemostasis, blood enrichment, and blood circulation promotion in distinct ASR medicinal segments. The distinguishable metabolic spectra were visually presented for the head (ASRH), body (ASRB), and tail (ASRT) in ASR, highlighting the dominant metabolites in each. Furthermore, a network linking components, targeted proteins, signaling pathways, and diseases was constructed. The combined analysis of metabolomics and network pharmacology confirms that ASRT primarily enhances blood circulation, whereas ASRH and ASRB lean toward hemostasis and blood enrichment. The dominant ingredients of ASRT mainly influence signaling pathways of calcium, PI3K-Akt, and arachidonic acid metabolism by modulating targeted proteins like EGFR, SRC, AKT1, and HSP90AA1, thus enhancing hemodynamics. In contrast, the dominant ingredients of ASRH and ASRB regulate PI3K-Akt, IL-17, and JAK-STAT signaling pathways via proteins, such as CTNNB1, AKT1, SRC, and EP300, playing a role in hemostasis and blood enrichment. These results were subsequently validated by molecular docking. This study innovatively combines metabolomics, network pharmacology, and molecular docking to preliminarily reveal the mechanisms governing hemostasis, blood enrichment, and blood circulation improvement regulated through multiple components, targeted proteins, and pathways in different ASR segments. These findings offer valuable insights for future investigations into the efficacies of distinct ASR segments.
期刊介绍:
The Journal of Food Biochemistry publishes fully peer-reviewed original research and review papers on the effects of handling, storage, and processing on the biochemical aspects of food tissues, systems, and bioactive compounds in the diet.
Researchers in food science, food technology, biochemistry, and nutrition, particularly based in academia and industry, will find much of great use and interest in the journal. Coverage includes:
-Biochemistry of postharvest/postmortem and processing problems
-Enzyme chemistry and technology
-Membrane biology and chemistry
-Cell biology
-Biophysics
-Genetic expression
-Pharmacological properties of food ingredients with an emphasis on the content of bioactive ingredients in foods
Examples of topics covered in recently-published papers on two topics of current wide interest, nutraceuticals/functional foods and postharvest/postmortem, include the following:
-Bioactive compounds found in foods, such as chocolate and herbs, as they affect serum cholesterol, diabetes, hypertension, and heart disease
-The mechanism of the ripening process in fruit
-The biogenesis of flavor precursors in meat
-How biochemical changes in farm-raised fish are affecting processing and edible quality