Mechanism of Eclipta prostrata L-Ligustrum lucidum Ait in the treatment of periodontitis

doi:10.7518/hxkq.2025.2025049

Abstract

Abstract:

Objective This study aimed to explore the potential target and molecular mechanism of Eclipta prostrata L-Ligustrum Lucidum Ait (EPL-LLA) in the treatment of periodontitis by using network pharmacology and molecular docking technology, and to explore its biocompatibility, regulatory effects on inflammatory factors, and antioxidant acti-vity through in vitro experiments. Methods The active components and potential targets of EPL-LLA were screened and predicted through a variety of databases, and the intersection of EPL-LLA and periodontitis targets was selected. The protein interaction network (PPI) was analyzed by the string platform. The Metascape database was used for gene ontology (GO) and Kyoto encyclopedia of genes and genomes (KEGG) pathway enrichment analysis. The active ingredients from the top 6 degrees were docked with the core targets, and the results of binding energy were visualized. An in vitro cell model was established to evaluate the biocompatibility, modulation of inflammatory factors, and antioxidative effects of EPL-LLA through cell counting kit-8 (CCK-8), quantitative real-time polymerase chain reaction (qRT-PCR) and 2’,7’-Dichlorodihydrofluorescein diacetate (DCFH-DA) fluorescent probe assays. Results Screening revealed 13 active components in EPL corresponding to 220 potential targets, 10 active components in LLA corresponding to 283 potential targets, and 1 643 periodontitis-related targets, with 91 shared targets among the three. GO analysis of the shared targets yielded 5 271 entries, while KEGG enrichment analysis indicated involvement in 253 signaling pathways. Molecular docking confirmed stable binding between the top 6 active components and core targets. CCK-8 assays demonstrated good biocompatibility of EPL-LLA at concentrations 0.02 mg/mL (P<0.05). qRT-PCR showed that EPL-LLA reduced the mRNA expression of pro-inflammatory factors in macrophages stimulated by Porphyromonas gingivalis lipopolysaccharide (LPS) while upregulating anti-inflammatory factor mRNA expression (P<0.05). DCFH-DA fluorescence probe assays confirmed the reactive oxygen species (ROS)-scavenging capacity of EPL-LLA (P<0.05). Conclusion EPL-LLA may treat periodontitis through multi-component, multi-target, and multi-pathway mechanisms, providing a theoretical basis for further research on its therapeutic potential.

Key words: periodontitis, Eclipta prostrata L, Ligustrum lucidum Ait, network pharmacology, molecular docking, macrophage, inflammatory factors, oxidative stress

CLC Number:

R781.4+2

Guo Mengru, Zhang Tianyi, Huang Jingwen, Huang Xinyue, Zheng Yi, Zhang Li. Mechanism of Eclipta prostrata L-Ligustrum lucidum Ait in the treatment of periodontitis[J]. West China Journal of Stomatology, 2025, 43(5): 696-710.

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中文名称	英文名称	英文简写	身份标识号
B淋巴细胞瘤-2	B-cell lymphoma-2	BCL2	3B7O
肿瘤坏死因子	tumor necrosis factor	TNF	5M2J
缺氧诱导因子1α	hypoxia inducible factor-1α	HIF1A	3PXK
表皮生长因子受体	epidermal growth factor receptor	EGFR	1XKK
肿瘤蛋白p53	tumor protein P53	TP53	3LGF
雌激素受体1	estrogen receptor 1	ESR1	2BJ4
AKT丝氨酸/苏氨酸激酶1	AKT serine/threonine kinase 1	AKT1	1H10
核因子-κB1	nuclear factor kappa B1	NFκB1	4Q3J
基质金属蛋白酶9	matrix metalloproteinase 9	MMP9	1ITV
信号转导与转录激活因子3	signal transducer and activator of transcription 3	STAT3	5AX3

基因名称	引物序列（5’-3’）
β-actin	F：CTTTGCAGCTCCTTCGTTGC R：ACGATGGAGGGGAATACAGC
TNF-α	F：GGCAGGTCTACTTTGGAGTCATTG R：ACATTCGAGGCTCCAGTGAATTCGG
IL-6	F：CTGCAAGAGACTTCCATCCAG R：AGTGGTATAGACAGGTCTGTTGG
IL-1β	F：GAAATGCCACCTTTTGACAGTG R：TGGATGCTCTCATCAGGACAG
IL-10	F：GCTCTTACTGACTGGCATGAG R：CGCAGCTCTAGGAGCATGTG

项目	分子身份标识号码	活性成分	OB/%	DL/%
EPL活性成分	MOL001790	蒙花苷	39.84	0.70
	MOL001689	金合欢素	34.97	0.24
	MOL002975	紫铆因	69.93	0.21
	MOL003378	去甲蟛蜞菊内酯	33.93	0.43
	MOL003389	3’-O-甲基香豌豆苷元	57.40	0.27
	MOL003398	红车轴草素	39.06	0.27
	MOL003402	去甲基蟛蜞菊内酯	72.12	0.42
	MOL003404	蟛蜞菊内酯	49.60	0.47
	MOL000006	木犀草素	36.16	0.24
	MOL000098	槲皮素	46.43	0.27
LLA活性成分	MOL000358	β-谷甾醇	36.91	0.75
	MOL000422	山奈酚	41.88	0.24
	MOL004576	花旗松素	57.84	0.27
	MOL005146	Lucidumoside D	48.86	0.70
	MOL005147	Lucidumoside D_qt	54.40	0.47
	MOL005169	（20S）-24-ene-3β，20-diol-3-acetate	40.22	0.81
	MOL005190	圣草酚	71.79	0.24
	MOL005195	丁香脂素二葡萄糖苷	83.12	0.79
	MOL005209	光泽乌头碱	30.10	0.74
	MOL005211	黄麻属苷	65.45	0.22
	MOL005212	Olitoriside_qt	103.23	0.77
	MOL000006	木犀草素	36.16	0.24
	MOL000098	槲皮素	46.43	0.27

化合物	结合能/（kcal/mol）
化合物	BCL2	TNF	HIF1A	EGFR	TP53	ESR1	AKT1	NFκB1	MMP9	STAT3
紫铆亭	-8.5	-7.9	-6.9	-9.2	-8	-6.8	-8	-6.6	-10.5	-7.5
木犀草素	-8.5	-7.9	-6.9	-8.9	-7.6	-6.6	-8.2	-6.9	-10.9	-7.8
金合欢素	-7.9	-7.4	-7	-8.7	-7.3	-6.8	-7.9	-6.8	-10.5	-7.6
槲皮素	-7.6	-7.4	-7	-6.5	-7.3	-6.7	-7.9	-6.8	-9.8	-8.1
山柰酚	-7.5	-8.0	-6.9	-8.7	-6.9	-6.8	-7.7	-7.2	-10	-7.8
圣草酚	-7.9	-9.0	-6.9	-9.0	-7.8	-6.9	-8.2	-6.9	-11	-7.6