Study on the mechanism of curcumin in the treatment of periodontitis through network pharmacology and mole-cular docking

doi:10.7518/hxkq.2023.2022370

Abstract

Abstract:

Objective This study aims to explore the therapeutic targets of curcumin in periodontitis through network pharmacology and molecular docking technology. Methods Targets of curcumin and periodontitis were predicted by different databases, and the protein-protein interaction (PPI) network constructed by String revealed the interaction between curcumin and periodontitis. The key target genes were screened for Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) analyses. Molecular docking was performed to analyze the binding potential of curcumin to periodontitis. Results A total of 672 periodontitis-related disease targets and 107 curcumin-acting targets were obtained from the databases, and 20 key targets were screened. The GO and KEGG analyses of the 20 targets showed that curcumin might play a therapeutic role through the hypoxia-inducible factor (HIF)-1 and parathyroid hormone (PTH) signaling pathways. Molecular docking analysis showed that curcumin had good binding potential with multiple targets. Conclusion The potential key targets and molecular mechanisms of curcumin in treating periodontitis provide a theoretical basis for new drug development and clinical applications.

Key words: curcumin, periodontitis, network pharmacology, molecular docking analysis, mechanism

CLC Number:

R 781.4

Yang Jingmei, Zhou Ziliang, Wu Yafei, Nie Min. Study on the mechanism of curcumin in the treatment of periodontitis through network pharmacology and mole-cular docking[J]. West China Journal of Stomatology, 2023, 41(2): 157-164.

Figures/Tables 7

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基因名称	蛋白名称	结合能/（kJ/mol）
NFE2L2	核转录因子E2相关因子2	-19.90
PTGS1	前列腺素过氧化合成酶1	-26.63
PTGES	前列腺素E合酶	-23.78
MMP13	基质金属蛋白酶13	-34.69
VDR	维生素D受体	-22.70
MMP14	基质金属蛋白酶14	-29.05
SERPINE1	纤溶酶原激活物抑制剂1	-21.19
PPARG	过氧化物酶增殖体激活受体	-23.24
AGTR1	血管紧张素Ⅱ-1型受体	-31.18
BRAF	苏氨酸蛋白激酶	-24.66
EGFR	表皮生长因子受体	-26.54
MMP2	基质金属蛋白酶2	-27.80
THRB	凝血酶原	-27.80
ADAM17	整合素金属蛋白酶17	-27.55
GRIK1	谷氨酸受体编码基因1	-27.80
CXCR2	趋化因子受体2	-17.89
MMP8	基质金属蛋白酶8	-28.97
CSF1R	巨噬细胞集落刺激因子1受体	-27.21
TLR9	Toll样受体9	-29.26
BCL2	B细胞白血病/淋巴癌2	-32.94

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