1.Mechanism of effect of Paeoniflorin on oral submucosal fibrosis based on molecular dynamics simulation and network pharmacology
Zuoxian CHEN ; Lizhen ZHUANG ; Jian LIU ; Taohua PAN ; Jincai GUO ; Hui XIE
China Modern Doctor 2025;63(26):41-45
Objective To analyze the multi-target mechanism of Paeoniflorin in the intervention of oral submucosal fibrosis(OSF)systematically,based on molecular dynamics simulation and network pharmacology.Methods Identify potential targets of Paeoniflorin were predicted by using database.OSF-related disease targets and identified drug-disease intersecting targets were screened.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were conducted to validate the molecular binding capabilities between Paeoniflorin and core targets.Finally,molecular dynamics simulations were performed to verify binding stability.Results A total of 20 overlapping targets were identified,including key genes such as transforming growth factor(TGF)-β1,interleukin(IL)-6,and tumor necrosis factor(TNF)-α.TGF-β1,IL-6,and TNF formed the core hub.The enrichment analysis revealed that the target molecules were significantly enriched in the TGF-β1,phosphatidylinositol 3-kinease-actin(PI3K-Akt),and nuclear factor κB(NF-κB)signaling pathways.Molecular docking confirmed high affinity binding of Paeoniflorin to targets including TGF-β1,while molecular dynamics simulations verified stable interactions between Paeoniflorin and both TGF-β1 and B-cell lymphoma-2 targets.Conclusion This study revealed that Paeoniflorin inhibits the inflammatory-fibrotic cascade of OSF through synergistic regulation of TGF-β1/Smad,PI3K-Akt and NF-κB pathways.
2.Mechanism of effect of Paeoniflorin on oral submucosal fibrosis based on molecular dynamics simulation and network pharmacology
Zuoxian CHEN ; Lizhen ZHUANG ; Jian LIU ; Taohua PAN ; Jincai GUO ; Hui XIE
China Modern Doctor 2025;63(26):41-45
Objective To analyze the multi-target mechanism of Paeoniflorin in the intervention of oral submucosal fibrosis(OSF)systematically,based on molecular dynamics simulation and network pharmacology.Methods Identify potential targets of Paeoniflorin were predicted by using database.OSF-related disease targets and identified drug-disease intersecting targets were screened.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)enrichment analysis were conducted to validate the molecular binding capabilities between Paeoniflorin and core targets.Finally,molecular dynamics simulations were performed to verify binding stability.Results A total of 20 overlapping targets were identified,including key genes such as transforming growth factor(TGF)-β1,interleukin(IL)-6,and tumor necrosis factor(TNF)-α.TGF-β1,IL-6,and TNF formed the core hub.The enrichment analysis revealed that the target molecules were significantly enriched in the TGF-β1,phosphatidylinositol 3-kinease-actin(PI3K-Akt),and nuclear factor κB(NF-κB)signaling pathways.Molecular docking confirmed high affinity binding of Paeoniflorin to targets including TGF-β1,while molecular dynamics simulations verified stable interactions between Paeoniflorin and both TGF-β1 and B-cell lymphoma-2 targets.Conclusion This study revealed that Paeoniflorin inhibits the inflammatory-fibrotic cascade of OSF through synergistic regulation of TGF-β1/Smad,PI3K-Akt and NF-κB pathways.
3.Effect of target monitoring and intervention combination strategies on prevention of catheter-related blood stream infections in ICU patients
Dan ZHOU ; Wenbin JIANG ; Hui LIN ; Xinting PAN ; Taohua ZHENG ; Lili WEI
Chinese Journal of Modern Nursing 2016;22(32):4637-4639
Objective To explore the effect of target monitoring and intervention combination strategies on prevention of catheter-related bloodstream infections (CRBSI) in intensive care unit (ICU) patients.Methods Target monitoring and intervention combination strategies were implemented in patients with central venous catheters in ICU since January 2015.372 patients with central venous catheters in 2014 were selected as the control group,and 426 patients who received target monitoring and intervention combination strategy were taken as the intervention group.The incidence rates of CRBSI in two groups were compared.Results There were 5 cases of infection in the intervention group,and the incidence rate of infection was 1.17%;there were 13 cases of infection in the control group,and the incidence rate of infection was 3.49% (x2=13.38,P<0.05).The incidence rate of CRBSI in the intervention group was 1.41‰,while it was 4.17‰ in the control group (x2 =8.94,P< 0.05).Conclusions Target monitoring and intervention combination strategies can significantly reduce the incidence of CRBSI in patients with central venous catheters in ICU.

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