Computational Systems Pharmacology and Molecular Docking Reveal an Anti-Apoptosis and Anti-Inflammatory Mechanism of Compound Angelica Ligusticum Wallichii Granules in the Treatment of Endometriosis

Li, Yueyan; Zhu, Jiang; Tang, Jing

doi:10.2147/dddt.s392500

Cited by 2 publications

(2 citation statements)

References 33 publications

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“…After liver reperfusion, blood samples were collected from the orbit and left at room temperature for 30 min 23 . Subsequently, serum was obtained by centrifuging the blood samples at 3500 g for 5 min.…”

Section: Methodsmentioning

confidence: 99%

Skimmianine attenuates liver ischemia/reperfusion injury by regulating PI3K–AKT signaling pathway-mediated inflammation, apoptosis and oxidative stress

Huo,

Wang,

Zhang

et al. 2023

Sci Rep

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Liver ischemia/reperfusion (I/R) injury is a common injury after liver transplantation and hepatectomy. Skimmianine (Ski) has antibacterial, antiviral pharmacological effects. However, it is not clear whether Ski has a protective effect against liver I/R injury. In the present study, we established a mouse liver I/R model and an AML12 cell hypoxia-reoxygenation (H/R) model, both pretreated with different concentrations of Ski. Serum transaminase levels, necrotic liver area, cell viability, inflammatory factors, oxidative stress and apoptosis-related levels were measured to assess the protective effect of Ski against liver I/R injury. Western blotting was used to detect apoptosis-related proteins and PI3K–AKT pathway-related proteins. Mice and cells were also treated with PI3K inhibitor LY294002 to assess changes in indicators of liver injury. The results showed that Ski significantly reduced transaminase levels, liver necrosis area, oxidative stress, and apoptosis levels in mice with I/R. Ski also inhibited cell injury and apoptosis after H/R. Moreover, Ski activated phosphorylation of PI3K–AKT pathway-related proteins after liver I/R and cell H/R. Importantly, the PI3K inhibitor LY294002 effectively reversed the alleviation of I/R injury caused by Ski. These results confirm that Ski exerts a protective effect against liver I/R injury through activation of the PI3K–AKT pathway.

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Section: Methodsmentioning

confidence: 99%

Skimmianine attenuates liver ischemia/reperfusion injury by regulating PI3K–AKT signaling pathway-mediated inflammation, apoptosis and oxidative stress

Huo,

Wang,

Zhang

et al. 2023

Sci Rep

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“…In order to further screen the targets and study the interactions between the targets, we screened the targets of 26 proteins through the PubChem database (https://pubchem. ncbi.nlm.nih.gov/, accessed on 20 July 2023) [9], and the keywords "bacteria, fungi, Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, and Candida albicans" were used to screen out the protein targets of the drug.…”

Section: Screening Of Antibacterial Targets Of Clindamycin Derivative...mentioning

confidence: 99%

Structure–Activity Relationship Target Prediction Studies of Clindamycin Derivatives with Broad-Spectrum Bacteriostatic Antibacterial Properties

Jia,

Zhang,

Zhu

2023

Molecules

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This study investigated the potential of clindamycin derivatives with broad-spectrum antibacterial properties. The main goal was to identify new antibacterial targets to lay the foundation for developing novel antimicrobial agents. This research used molecular docking and dynamics simulations to explore how clindamycin derivatives could combat bacterial resistance and widen their antibacterial capabilities. Three different clindamycin derivatives were studied against 300 target proteins. Among these, 26 proteins were found to be common targets for all three derivatives. After further screening through molecular docking and dynamics simulations, four specific protein targets were identified. Notably, one of these targets, cell division protein FtsZ, was found to be primarily located in the cyto and cyto_nucl compartments. These findings suggest that clindamycin derivatives have the potential to address bacterial resistance and broaden their antibacterial effectiveness through these identified protein targets.

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Computational Systems Pharmacology and Molecular Docking Reveal an Anti-Apoptosis and Anti-Inflammatory Mechanism of Compound Angelica Ligusticum Wallichii Granules in the Treatment of Endometriosis

Cited by 2 publications

References 33 publications

Skimmianine attenuates liver ischemia/reperfusion injury by regulating PI3K–AKT signaling pathway-mediated inflammation, apoptosis and oxidative stress

Skimmianine attenuates liver ischemia/reperfusion injury by regulating PI3K–AKT signaling pathway-mediated inflammation, apoptosis and oxidative stress

Structure–Activity Relationship Target Prediction Studies of Clindamycin Derivatives with Broad-Spectrum Bacteriostatic Antibacterial Properties

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