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| Study on the substance basis and mechanism of Bushen Guchi Pill in the treatment of periodontal disease of kidney deficiency and blood heat type based on network pharmacology and molecular docking |
| Hits 367 Download times 255 Received:November 30, 2023 |
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| DOI
10.11656/j.issn.1672-1519.2024.02.18 |
| Key Words
Bushen Guchi Pill;kidney deficiency blood heat type periodontal disease;network pharmacology;molecular docking;physical base;mechanism of action |
| Author Name | Affiliation | E-mail | | FAN Yuanfang | Jiuzhitang Co., Ltd., Changsha 410221, China | | | XIONG Kaipeng | Chengdu Jiuzhitang Jinding Pharmaceutical Co., Ltd., Chengdu 610101, China | | | WU Yongsheng | Jiuzhitang Co., Ltd., Changsha 410221, China | wuyongsheng@hnjzt.com | | YAN Donglan | Jiuzhitang Co., Ltd., Changsha 410221, China | |
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| Abstract
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| [Objective] This study aimed to reveal the effective substance basis and mechanism of Bushen Guchi Pill in treating kidney deficiency heat type periodontitis through network pharmacology and molecular docking analysis. [Methods] All the active ingredients and corresponding targets of each medicinal material in Bushen Guchi Pill compounds were retrieved through the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform（TCMSP） and other databases and platforms. Disease-related target genes were retrieved in human gene database（GeneCards） and Online Mendelian Inheritance in Man（OMIM） databases，and the network of “active ingredient-component target-periodontal disease target” of Bushen Guchi Pill was constructed，and further screened for network topology analysis. And the effective core components and key targets of molecular were docked to analyze the binding ability of small molecular ligands to receptor. [Results] The 12 active ingredients，25 targets and 3 key targets were identified as Estrogen receptor（ESR1），Epidermal growth factor receptor（EGFR） and Phosphatidylinositol 4，5-bisphosphate 3-kinase catalytic subunit alpha isoform（PIK3CA）. These components and targets play an important role in the treatment of periodontal disease by regulating nuclear receptor activity，protein kinase activity，enzyme activator activity，growth factor binding，heme binding，endopeptidase activity，protein homo-dimerization activity，and participating in the regulation of Cellular tumor antigen（P53） and nuclear factor kappa-B（NF-κB） signaling pathway. Molecular docking analysis showed that 3 key targets had certain affinity with 12 active ingredients（Quercetin，Aureusidin，Physcion，etc.）. [Conclusion] Bushen Guchi Pill plays an effective role in the treatment of periodontal disease of kidney deficiency and blood heat type through complex network regulation. This study provides research ideas and theoretical basis for further exploring the mechanism and clinical application of its treatment-related syndromes. |
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