Network pharmacology and molecular docking identify mechanisms of medicinal plant-derived 1,2,3,4,6-penta-O-galloyl-beta-D-glucose treating gastric cancer

REN, MAN; Yang, Yuan; LI, DAN; ZHAO, NANNAN; WANG, YUPING; ZHOU, YONGNING

doi:10.32604/biocell.2023.028402

Cited by 3 publications

(1 citation statement)

References 61 publications

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“…The AGP structure was downloaded from the PubChem Compound website, pre-processed with OpenBabel and AutoDock software and set aside. The corresponding protein molecules were downloaded from the PDB database, pre-processed with PyMOL and AutoDock software and set aside (Ren et al, 2023). Then the binding energy was calculated with AutoDock software.…”

Section: Molecular Dockingmentioning

confidence: 99%

Andrographolide regulates H3 histone lactylation by interfering with p300 to alleviate aortic valve calcification

Wang,

Wang

et al. 2024

British J Pharmacology

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Background and PurposeOur previous studies have found that andrographolide (AGP) alleviates calcific aortic valve disease (CAVD), but the underlying mechanism is unclear. This study explores the molecular target and signal mechanisms of AGP in inhibiting CAVD.Experimental ApproachThe anti‐calcification effects of the aortic valve with AGP treatment were evaluated by alizarin red staining in vitro and ultrasound and histopathological assessment of a high‐fat (HF)‐fed ApoE−/− mouse valve calcification model. A correlation between the H3 histone lactylation (H3Kla) and calcification was detected. Molecular docking and surface plasmon resonance (SPR) experiments were further used to confirm p300 as a target for AGP. Overexpression (oe) and silencing (si) of p300 were used to verify the inhibitory effect of AGP targeting p300 on the H3Kla in vitro and ex vivo.Key ResultsAGP significantly inhibited calcium deposition in valve interstitial cells (VICs) and ameliorated aortic valve calcification. The multi‐omics analysis revealed the glycolysis pathway involved in CAVD, indicating that AGP interfered with lactate production by regulating lactate dehydrogenase A (LDHA). In addition, lactylation, a new post‐translational modification, was shown to have a role in promoting aortic valve calcification. Furthermore, H3Kla and H3K9la site were shown to correlate with Runx2 expression inhibition by AGP treatment. Importantly, we found that p300 transferase was the molecular target of AGP in inhibiting H3Kla.Conclusions and ImplicationsOur findings, for the first time, demonstrated that AGP alleviates calcification by interfering with H3Kla via p300, which might be a powerful drug to prevent CAVD.

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Section: Molecular Dockingmentioning

confidence: 99%

Andrographolide regulates H3 histone lactylation by interfering with p300 to alleviate aortic valve calcification

Wang,

Wang

et al. 2024

British J Pharmacology

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Antioxidant 1,2,3,4,6-Penta-O-galloyl-β-D-glucose Alleviating Apoptosis and Promoting Bone Formation Is Associated with Estrogen Receptors

Hua,

Wang,

Chen

et al. 2024

Molecules

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1,2,3,4,6-penta-O-galloyl-β-D-glucose (PGG) is the main phenolic active ingredient in Paeoniae Radix Alba, which is commonly used for the treatment of osteoporosis (OP). PGG is a potent natural antioxidant, and its effects on OP remain unknown. This study aimed to investigate the effects of PGG on promoting bone formation and explore its estrogen receptor (ER)-related mechanisms. A hydrogen peroxide-induced osteoblast apoptosis model was established in MC3T3-E1 cells. The effects of PGG were assessed using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide (MTT) assay, flow cytometry, alkaline phosphatase (ALP) staining, RT-qPCR, and Western blot methods. Furthermore, a prednisolone-induced zebrafish OP model was employed to study the effects in vivo. ER inhibitors and molecular docking methods were used further to investigate the interactions between PGG and ERs. The results showed that PGG significantly enhanced cell viability and decreased cell apoptosis by restoring mitochondrial function, attenuating reactive oxygen species levels, decreasing the mitochondrial membrane potential, and enhancing ATP production. PGG enhanced ALP expression and activity and elevated osteogenic differentiation. PGG also promoted bone formation in the zebrafish model, and these effects were reversed by ICI182780. These results provide evidence that the effects of PGG in alleviating apoptosis and promoting bone formation may depend on ERs. As such, PGG is considered a valuable candidate for treating OP.

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Integrating Network Pharmacology and In Silico Analysis to Explore the Bioactive Compounds Against Gastric Cancer Treatment

Pradhan,

Gadnayak,

Pradhan

et al. 2024

Cureus

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Network pharmacology and molecular docking identify mechanisms of medicinal plant-derived 1,2,3,4,6-penta-O-galloyl-beta-D-glucose treating gastric cancer

Cited by 3 publications

References 61 publications

Andrographolide regulates H3 histone lactylation by interfering with p300 to alleviate aortic valve calcification

Andrographolide regulates H3 histone lactylation by interfering with p300 to alleviate aortic valve calcification

Antioxidant 1,2,3,4,6-Penta-O-galloyl-β-D-glucose Alleviating Apoptosis and Promoting Bone Formation Is Associated with Estrogen Receptors

Integrating Network Pharmacology and In Silico Analysis to Explore the Bioactive Compounds Against Gastric Cancer Treatment

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