1.Mechanism of Cnidii Fructus in the treatment of periodontitis with osteoporosis based on network pharmacology, molecular docking, and molecular dynamics simulation.
Miaomiao FENG ; Xiaoran XU ; Ningli LI ; Mingzhen YANG ; Yuankun ZHAI
West China Journal of Stomatology 2025;43(2):249-261
OBJECTIVES:
This study aimed to explore the active components, potential targets, and mechanism of Cnidii Fructus in the treatment of periodontitis with osteoprosis through network pharmacology, molecular docking, and molecular dynamics simulation technology.
METHODS:
The main chemical constituents and targets of Cnidii Fructus were screened using the TCMSP and SwissTargetPrediction databases, as well as literature reports. Targets of periodontitis and osteoporosis were predicted using different databases. The intersection targets of Cnidii Fructus, periodontitis, and osteoporosis were obtained using Venny 2.1. The protein-protein interaction network was formed on the STRING platform. Cytoscape 3.9.1 was used to construct the active component-intersection target interaction network, perform the topological analysis, and screen key targets and core active components. Furthermore, the Metascape database was used to perform gene ontology (GO) function and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis on the intersection targets. The top five key targets and core active components were selected as receptor proteins and ligand small molecules. Discovery Studio 2019 was used to dock ligands and receptors and visualize the docking results. Molecular dynamics simulation was conducted using Gromacs2022.3 to assess the stability of the interactions between the core active components and the main targets.
RESULTS:
A total of 20 potential active ingredients of Cnidii Fructus were screened, and 116 targets of Cnidii Fructus were obtained for treating periodontitis and osteoporosis. GO and KEGG analyses of the 116 targets showed that Cnidii Fructus may play a therapeutic role through the phosphoinositide 3-kinase-protein kinase B (PI3K-Akt) and advanced glycation end products-receptor for advanced glycation end products (AGE-RAGE) signaling pathways. Molecular docking showed that the core constituents were well bound to the main targets. Molecular dynamics simulations confirmed the stability of the Diosmetin-AKT1 complex system.
CONCLUSIONS
The preliminary discovery of the potential molecular pharmacological mechanism of Cnidii Fructus extract in the targeted treatment of periodontitis with osteoporosis through a multi-component, multitarget, and multi-pathway approach can serve as a theoretical foundation for future drug-development research and clinical application.
Molecular Docking Simulation
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Molecular Dynamics Simulation
;
Network Pharmacology
;
Periodontitis/complications*
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Drugs, Chinese Herbal/chemistry*
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Osteoporosis/complications*
;
Humans
;
Protein Interaction Maps
;
Cnidium/chemistry*
2.Dynamic monitoring of scar changes by B-mode ultrasound
Miaomiao LIU ; Junkui WANG ; Yi SUN ; Xiaomei ZHAI
Chinese Journal of Medical Aesthetics and Cosmetology 2022;28(5):402-404
Objective:To study the application of B-mode ultrasound in objective evaluation and dynamic monitoring of scar.Methods:The subjects were patients with scar in the outpatient and inpatient department of plastic surgery in the First Affiliated Hospital of Zhengzhou University from March 2018 to June 2020. According to the type of scar, they were divided into 3 groups: 21 patients in the normal scar group, 23 patients in the hypertrophic scar group, and 15 patients in the keloid group. All 59 patients were regularly scanned by B-mode ultrasound for scar images and the scar thickness was measured.Results:B-mode ultrasonic images of scars were analyzed in each group: The echo intensity of dermis of normal scar was uneven, hypertrophic scar and keloid dermis showed obvious hypoecho, and some cases of keloid presented a small amount of blood flow. There was no significant change in the ultrasonic images of scar in each group within 1 year. Changes in scar thickness were observed in each group. The normal scar thickness did not change significantly within 1 year. The thickness of hypertrophic scar showed a trend of first increasing and then stabilized within 1 year.Conclusions:B-mode ultrasound can assist to identify different scar types according to ultrasonic performance. B-mode ultrasound can be used to measure scar thickness objectively and accurately and monitor the dynamic changes of scars.
3.Effects of exercise therapy on type 2 diabetes patients in the working mode of "combination of physical and health"
Jie ZHU ; Ming HU ; Min QIAN ; Yifeng WANG ; Miaomiao ZHAO ; Yingjiu ZHAI ; Kaida MU
Clinical Medicine of China 2019;35(5):409-412
Objective To evaluate the effect of aerobic exercise combined with resistance exercise on blood sugar and constitution in patients with type 2 diabetes mellitus.Methods Fifty eligible subjects in community type 2 diabetes database were randomly selected and a model intervention group of"1+2+1" was established.The regular exercise intervention was conducted for six months by combining aerobic exercise with resistance exercise.The fasting blood sugar,blood pressure,heart rate,body mass and fat mass before and after intervention were compared by paired t test.Changes in related physical indicators.Results After 6 month of exercise therapy,fasting blood glucose of subjects reduced from (8.58±4.40) mmol/L to (6.29 ±1.72) mmol/L(P=0.032).Body weight also reduced from (62.44±7.35) Kg to (60.70±7.54) Kg(P=0.008). In physical quality related indexes, fat mass decreased significantly, while protein content increased significantly.There were no changes in muscle mass and fat free body weight.In addition, grip strength and flexion range of subjects significantly increased after exercise therapy.Comprehensive score of physical quality of subjects increased from (73.25± 5.65) to (75.48± 5.04) ( P=0.010).Conclusion Exercise therapy of aerobic exercise combined with resistant exercise can effectively reduce blood glucose, body weight and fat mass,increase muscle strength,flexibility and physical quality.This also reflects that the community?led "health and physical integration" mode of work is an effective means to manage chronic diseases and enhance the physical fitness of residents.
4.Effects of low dose naloxone combined with ropivacaine or sufentanil ropivacaine on brachial plexus block
Taoli SHI ; Xiwei DONG ; Yanhui HE ; Miaomiao ZHAI ; Zhigang DAI ; Sheng WANG
The Journal of Practical Medicine 2017;33(8):1310-1313
Objective To evaluate the effect of ropivacaine combined with low-dose naloxone or sufentanilropivacaine mixture on brachial plexus block carried under the guidance of ultrasound.Methods A total of 100 patients of our hospital undergoing upper limb surgery was randomly divided into four groups with 25 patients in each group.Four groups are patients receiving 20 mL of 0.375% mesylate ropivacaine (Group D),20 mL of 0.375% mesylate ropivacaine + 10 μg sufentanil (Group S),20 mL of 0.375% mesylate ropivacaine + 100 ng naloxone (Group N) and 20 mL of 0.375% mesylate ropivacaine + 10 μg sufentanil +100 ng naloxone (Group N+S).All patients underwent interscalene brachial plexus block under ultrasound guidance.The sensory block,motor block and other adverse reactions were observed and recorded at 5min,6,12,18,24 h.Results The sensory and motor block time of group D was (435.5 ± 77.9) min and (350.2 ± 69.8) min,group S (831.7 ± 52.0)min and (675.8 ± 48.1)min,group N (933.0 ± 117.1) min and (499.0 ± 40.5) min,group N+S (919.3 ± 59.0) min and (534.8 ± 56.6)min.The sensory block time of group N and group N + S were significantly longer than that of group D and S (P <0.05).The sensory and motor block time of group D were obviously shorter than that of other groups (P < 0.05).There were no significant difference in the onset time of sensory and motor block in all groups.Conclusion Low dose of naloxone combined with ropivacaine or sufentanil-ropivacaine mixture can increase the duration of sensory block on brachial plexus.

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