Experimental and molecular docking studies of estrogen-like and anti-osteoporosis activity of compounds in Fructus Psoraleae

Cai, Xin-yin; Zhang, Zijia; Xiong, Jing-lin; Yang, Meng Die; Wang, Zhengtao

doi:10.1016/j.jep.2021.114044

Cited by 30 publications

(15 citation statements)

References 62 publications

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“…After treatment with EBZY, progynova and aspirin, the number of implantation sites in each group increased; those in the medium‐dose and high‐dose groups of EBZY increased significantly when compared with the model group. This may be due to the estrogen‐like effect of Fructus Psoraleae in EBZY, as confirmed previously 38,39 . Isopsoralen is an important compound in Fructus Psoraleae and has been shown to exhibit an estrogen‐like effect 40,41 .…”

Section: Discussionsupporting

confidence: 71%

Erbu Zhuyu decoction improves endometrial angiogenesis via uterine natural killer cells and the PI3K/Akt/eNOS pathway a mouse model of embryo implantation dysfunction

Shen

Liu

et al. 2022

American J Rep Immunol

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Background We investigated the effect of Erbu Zhuyu decoction (EBZY) on angiogenesis via uterine natural killer (uNK) cells and the PI3K/Akt/eNOS pathway in embryo implantation dysfunction (EID) mice. Methods Pregnant mice were randomly divided into blank, model, EBZY, progynova, and aspirin groups. Uteri were excised on the 5th day of pregnancy for analysis. Results Mice in the model group showed pale uteri, a reduced implantation rate, and lower expression levels of phosphatidylinositol‐3‐kinase (PI3K), protein kinase B (Akt), endothelial nitric oxide synthase (eNOS) and nitric oxide (NO). Compared to the model group, implantation rates in the medium‐dose and high‐dose groups of EBZY were significantly higher (P < .05), PI3K and Akt mRNA expression levels in the low‐dose group were significantly higher (P < .05, P < .01), and the expression of p‐PI3K, p‐Akt, and p‐eNOS proteins in all treatment groups were significantly increased (P < .01, P < .05). The expression of NO was significantly increased in the low‐dose and high‐dose groups (P < .01, P < .05, respectively). The level of p‐Akt protein in the high‐dose group was significantly higher than those in the other treatment groups (P < .01, P < .05). There was no significant difference in the density of uNK cells (P > .05). Conclusions EBZY facilitated embryo implantation in EID mice by enhancing endometrial angiogenesis via activation of the PI3K/Akt/eNOS pathway, at least in part. There was no evidence to indicate that EBZY could adjust the expression of uNK.

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Section: Discussionsupporting

confidence: 71%

Erbu Zhuyu decoction improves endometrial angiogenesis via uterine natural killer cells and the PI3K/Akt/eNOS pathway a mouse model of embryo implantation dysfunction

Shen

Liu

et al. 2022

American J Rep Immunol

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“…The results of molecular docking of components with targets were a predicted interaction between a ligand and a biological macromolecule at the molecular level 22 . Considering the significance of MAPK signaling pathways and PI3K/Akt signaling pathways exhibited in the biological enrichment analysis, we chose the top 10 key protein targets in KEGG pathways (Fig.…”

Section: Resultsmentioning

confidence: 99%

Exploring the components and mechanisms of Shen-qi-wang-mo granule in the treatment of retinal vein occlusion by UPLC-Triple TOF MS/MS and network pharmacology

Zhao

Qiu

et al. 2023

Sci Rep

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This study aimed to explore the substance basis and mechanisms of Shen-qi-wang-mo Granule (SQWMG), a traditional Chinese medicine prescription that had been clinically utilized to treat retinal vein occlusion (RVO) for 38 years. Components in SQWMG were analyzed by UPLC-Triple-TOF/MS and a total of 63 components were identified with ganoderic acids (GA) being the largest proportion. Potential targets of active components were retrieved from SwissTargetPrediction. RVO-related targets were acquired from related disease databases. Core targets of SQWMG against RVO were acquired by overlapping the above targets. The 66 components (including 5 isomers) and 169 targets were obtained and concluded into a component-target network. Together with biological enrichment analysis of targets, it revealed the crucial role of the “PI3K-Akt signaling pathway”, “MAPK signaling pathway” and their downstream factor iNOS and TNF-α. The 20 key targets of SQWMG in treating RVO were acquired from the network and pathway analysis. The effects of SQWMG on targets and pathways were validated by molecular docking based on AutoDock Vina and qPCR experiment. The molecular docking showed great affinity for these components and targets, especially on ganoderic acids (GA) and alisols (AS), which were both triterpenoids and qPCR exhibited remarkably reduced inflammatory factor gene expression through regulation of these two pathways. Finally, the key components were also identified from rat serum after treatment of SQWMG.

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“…Generally, when in a low energy state, the ligand and the receptor bind easily with each other, and the stability of their binding conformation is enhanced. As a result, 5 enzymes with the lowest binding energy were screened for further analysis 14 . These enzymes included 3 kinds of Group X secretory phospholipase A2 (PLA2) and 2 kinds of Group 16 PLA2 ( Table 3S , Supporting Information).…”

Section: Resultsmentioning

confidence: 99%

UPLC/Q-TOF-MS-based Metabolomics Study of the Antiosteoporosis Effects of Vaccarin in Ovariectomized Mice

Song¹,

Xie²,

Liu³

et al. 2022

Planta Med

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Osteoporosis is a systemic and metabolic bone disease that usually occurs in postmenopausal women, which mainly manifests as bone loss and increased bone fragility that both facilitate fracture. However, few drugs for osteoporosis have shown good efficacy and limited side effects. Vaccarin has demonstrated its antiosteoporosis effects by inhibiting the formation and osteolytic activities of osteoclasts in our previous investigation. In this study, multivariate statistical analysis and ultrahigh-performance liquid chromatography and quadrupole time-of-flight tandem mass spectrometry were used to analyze the serum metabolites of ovariectomized mice treated with or without vaccarin. As a result, 9 serum metabolites were identified as biomarkers. The metabolic levels of 3 crucial biomarkers, namely, lysophosphatidylcholine [22:6, (4Z, 7Z, 10Z, 13Z, 16Z, 19Z)], 1-linoleoylglycerophosphocholine and 1-palmitoyl-Sn-glycero-3-phosphocholine, that were correlated with glycerophospholipid metabolism increased and then decreased significantly after vaccarin treatment. Molecular docking analysis and osteoclasts differentiation experiment further revealed that vaccarin may bind with phospholipase A2 and downregulated its activity to reduce the osteoclastogenesis. Therefore, the occurrence of osteoporosis is closely related with glycerophospholipid metabolism disorders, and vaccarin exerts antiosteoporosis effects by reducing the levels of glycerophospholipid metabolites.

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Experimental and molecular docking studies of estrogen-like and anti-osteoporosis activity of compounds in Fructus Psoraleae

Cited by 30 publications

References 62 publications

Erbu Zhuyu decoction improves endometrial angiogenesis via uterine natural killer cells and the PI3K/Akt/eNOS pathway a mouse model of embryo implantation dysfunction

Erbu Zhuyu decoction improves endometrial angiogenesis via uterine natural killer cells and the PI3K/Akt/eNOS pathway a mouse model of embryo implantation dysfunction

Exploring the components and mechanisms of Shen-qi-wang-mo granule in the treatment of retinal vein occlusion by UPLC-Triple TOF MS/MS and network pharmacology

UPLC/Q-TOF-MS-based Metabolomics Study of the Antiosteoporosis Effects of Vaccarin in Ovariectomized Mice

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