Unraveling the mechanism of action of cepharanthine for the treatment of novel coronavirus pneumonia (COVID-19) from the perspectives of systematic pharmacology

Sun, Feifei; Liu, Jinde; Ali, Tariq; Wang, Zhonglei; Wu, Yongning; Li, Lin

doi:10.1016/j.arabjc.2023.104722

Cited by 4 publications

(2 citation statements)

References 68 publications

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“…In recent decades, TCM has attracted worldwide attention due to its exact curative effects, relatively low toxicity, and low cost. Due to the complex components of TCM and the various biological systems in which they are involved, elucidating its mechanism of action has become a challenge [12,16]. Network pharmacology takes the main active ingredients and target proteins of TCM as nodes and uses edges to represent their interactions by generating an interaction network in order to elucidate the mechanism of action of TCM prescriptions at the molecular level [17].…”

Section: Discussionmentioning

confidence: 99%

The Mechanism of Mori Folium and Eucommiae Cortex against Cyclophosphamide-Induced Immunosuppression Integrating Network Pharmacology, Molecular Docking, Molecular Dynamics Simulations, and Experimental Validation

Liu,

Rong,

Zhang

et al. 2023

Metabolites

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It has been reported that Mori Folium (MF) and Eucommiae Cortex (EC) exhibit pharmacological effects in the treatment of immunosuppression. However, the mechanism of MF and EC against immunosuppression remains unclear. This study aims to explore the mechanism of action of MF and EC for the treatment of immunosuppression through network pharmacology, molecular docking, molecular dynamics simulations and animal experiments. As a result, 11 critical components, 9 hub targets, and related signaling pathways in the treatment of immunosuppression were obtained based on network pharmacology. The molecular docking suggested that 11 critical components exhibited great binding affinity to 9 hub targets of immunosuppression. The molecular dynamics simulations results showed that (-)-tabernemontanine-AR, beta-sitosterol-AR and Dehydrodieugenol-HSP90AA1 complexes are stably bound. Additionally, in the animal experiments, the treated group results compared to the control group suggest that MF and EC have a significant effect on the treatment of immunosuppression. Therefore, MF and EC treatment for immunosuppression may take effects in a multi-component, multi-target, and multi-pathway manner. The results herein may provide novel insights into the treatment of immunosuppression in humans.

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Section: Discussionmentioning

confidence: 99%

The Mechanism of Mori Folium and Eucommiae Cortex against Cyclophosphamide-Induced Immunosuppression Integrating Network Pharmacology, Molecular Docking, Molecular Dynamics Simulations, and Experimental Validation

Liu,

Rong,

Zhang

et al. 2023

Metabolites

Self Cite

View full text Add to dashboard Cite

show abstract

“…Autodock Tools (version 1.5.7) [83,84] and AutoDock Vina (version 1.2.5) [85,86] were applied in the docking between the eight phenolics and the seven central targets. The seven central targets were as follows: HIF1A (PDB ID: 4H6J) [113,114], AKT1 (PDB ID: 4GV1) [115], TNF (PDB ID: 2AZ5) [116,117], IL6 (PDB ID: 1ALU) [118], ESR1 (PDB ID: 7UJO) [119], STAT3 (PDB ID: 6NJS) [120], and BCL2 (PDB ID: 4MAN) [121].…”

Section: Component-target Dockingmentioning

confidence: 99%

Elucidation of Anti-Obesity Mechanisms of Phenolics in Artemisiae argyi Folium (Aiye) by Integrating LC-MS, Network Pharmacology, and Molecular Docking

Liu,

Luo,

2024

Life

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The global prevalence of obesity is a pressing health issue, increasing the medical burden and posing significant health risks to humans. The side effects and complications associated with conventional medication and surgery have spurred the search for anti-obesity drugs from plant resources. Previous studies have suggested that Artemisiae argyi Folium (Aiye) water extracts could inhibit pancreatic lipase activities, control body weight increase, and improve the plasma lipids profile. However, the exact components and mechanisms were not precisely understood. Therefore, this research aims to identify the chemical profile of Aiye and provide a comprehensive prediction of its anti-obesity mechanisms. The water extract of Aiye was subjected to LC-MS analysis, which identified 30 phenolics. The anti-obesity mechanisms of these phenolics were then predicted, employing network pharmacology and molecular docking. Among the 30 phenolics, 21 passed the drug-likeness screening and exhibited 486 anti-obesity targets. The enrichment analysis revealed that these phenolics may combat obesity through PI3K-Akt signaling and MAPK, prolactin, and cAMP signaling pathways. Eight phenolics and seven central targets were selected for molecular docking, and 45 out of 56 docking had a binding affinity of less than −5 kcal/mol. This research has indicated the potential therapy targets and signaling pathways of Aiye in combating obesity.

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The Pharmacological Mechanisms of Mori Folium and Eucommiae Cortex Extracts against Immunosuppression from Network Pharmacology Perspectives

Liu,

Rong,

Zhang

et al. 2023

Preprint

View full text Add to dashboard Cite

It’s been reported that Mori Folium (MF) and Eucommiae Cortex (EC) exhibit pharmacological effects on the treatment of immunosuppression. However, the mechanism of MF and EC against immunosuppression remains unclear. This study aims to explore the mechanism of action of MF and EC for the treatment of immunosuppression through network pharmacology, molecular docking, molecular dynamics simulations and animal experiments. As a result, 11 critical components, 9 hub targets, and related-signaling pathways of treatment of immunosuppression were obtained based on network pharmacology. The molecular docking suggested that 11 critical components exhibited great binding affinity to 9 hub targets of immunosuppression. The molecular dynamics simulations results showed that (-)-Tabernemontanine-AR, beta-sitosterol-AR and Dehydrodieugenol-HSP90AA1 complexes are stably bound. Additionally, in the animal experiments, the treated group results compared to the control group suggest that MF and EC have a significant effect on the treatment of immunosuppression. Therefore, the MF and EC treatment for immunosuppression may take effects in a multi-component, multi-target, and multi-pathway manner. The results would provide novel insights into the treatment of immunosuppression in humans.

show abstract

Unraveling the mechanism of action of cepharanthine for the treatment of novel coronavirus pneumonia (COVID-19) from the perspectives of systematic pharmacology

Cited by 4 publications

References 68 publications

The Mechanism of Mori Folium and Eucommiae Cortex against Cyclophosphamide-Induced Immunosuppression Integrating Network Pharmacology, Molecular Docking, Molecular Dynamics Simulations, and Experimental Validation

The Mechanism of Mori Folium and Eucommiae Cortex against Cyclophosphamide-Induced Immunosuppression Integrating Network Pharmacology, Molecular Docking, Molecular Dynamics Simulations, and Experimental Validation

Elucidation of Anti-Obesity Mechanisms of Phenolics in Artemisiae argyi Folium (Aiye) by Integrating LC-MS, Network Pharmacology, and Molecular Docking

The Pharmacological Mechanisms of Mori Folium and Eucommiae Cortex Extracts against Immunosuppression from Network Pharmacology Perspectives

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