Journal of ethnopharmacology · 2026
Integrated network pharmacology and Chinmedomics reveal the molecular mechanisms of aqueous extract of Eleutherococcus senticosus fruit for treating essential hypertension.
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Li Zhineng, Yang Le, Kong Ling, Sun Hui, Sun Ye, Yin Fengting, Yan Guangli, Wang Xijun
Аннотация
ETHNOPHARMACOLOGICAL RELEVANCE: Eleutherococcus senticosus fruit (ESF) originates from the mature fruit of Eleutherococcus senticosus (Rupr. & Maxim.) Maxim, which is effective in treating essential hypertension (EH). However, the incomplete comprehension of how ESF antihypertensives impedes its further development.
AIM OF THE STUDY: This study aims to elucidate the potential molecular mechanism of ESF in treating EH through network pharmacology, Chinmedomics, molecular docking, and experimental verification.
MATERIALS AND METHODS: In this study, blood pressure, body weight, organ indices, histopathology, and related kits were employed to systematically evaluate the therapeutic efficacy of ESF on EH. Metabolomics analyzed the core metabolites in serum and urine and delineated the metabolic pathways. Subsequently, an integrated approach combining network pharmacology, Chinmedomics, molecular docking, molecular dynamics simulations, and experimental verification was adopted to elucidate the molecular mechanism underlying the antihypertensive effect of ESF.
RESULTS: ESF significantly reduced blood pressure, dilated blood vessels, ameliorated oxidative stress, alleviated pathological injuries of the heart and kidney, and reversed the disruption of tryptophan metabolism, taurine and hypotaurine metabolism, vitamin B6 metabolism and other pathways. Chinmedomics combined with network pharmacology identified 5 active constituents targeting 3-hydroxyanthranilic acid oxygenase (3HAO), kynureninase (KYNU), thromboxane synthase (ThrS), sphingosine kinase (SphK), cystathionine γ-lyase (CGL) and pyridoxal 4-dehydrogenase (PLDH). Molecular docking and molecular dynamics simulations verified their stable binding. Furthermore, these components exhibit a synergistic effect.
CONCLUSIONS: This study sheds light on the molecular mechanisms insights underlying ESF treatment of EH, providing a new translational strategy for developing precision therapeutic drugs for EH.
AIM OF THE STUDY: This study aims to elucidate the potential molecular mechanism of ESF in treating EH through network pharmacology, Chinmedomics, molecular docking, and experimental verification.
MATERIALS AND METHODS: In this study, blood pressure, body weight, organ indices, histopathology, and related kits were employed to systematically evaluate the therapeutic efficacy of ESF on EH. Metabolomics analyzed the core metabolites in serum and urine and delineated the metabolic pathways. Subsequently, an integrated approach combining network pharmacology, Chinmedomics, molecular docking, molecular dynamics simulations, and experimental verification was adopted to elucidate the molecular mechanism underlying the antihypertensive effect of ESF.
RESULTS: ESF significantly reduced blood pressure, dilated blood vessels, ameliorated oxidative stress, alleviated pathological injuries of the heart and kidney, and reversed the disruption of tryptophan metabolism, taurine and hypotaurine metabolism, vitamin B6 metabolism and other pathways. Chinmedomics combined with network pharmacology identified 5 active constituents targeting 3-hydroxyanthranilic acid oxygenase (3HAO), kynureninase (KYNU), thromboxane synthase (ThrS), sphingosine kinase (SphK), cystathionine γ-lyase (CGL) and pyridoxal 4-dehydrogenase (PLDH). Molecular docking and molecular dynamics simulations verified their stable binding. Furthermore, these components exhibit a synergistic effect.
CONCLUSIONS: This study sheds light on the molecular mechanisms insights underlying ESF treatment of EH, providing a new translational strategy for developing precision therapeutic drugs for EH.