基于网络药理学和分子对接探讨桂芍镇痫片治疗颞叶癫痫的作用机制

doi:10.3976/j.issn.1002-4026.2023.03.004

Abstract

Abstract:

To study the mechanism of Guishaozhenxian Tablet in the treatment of temporal lobe epilepsy (TLE) based on network pharmacology. Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform was used to retrieve the active ingredients and action targets of Guishaozhenxian Tablet, and the standard gene was transformed using the UniProt database. The OMIM, GeneCards, and DrugBank databases were searched for disease targets related to TLE, and the intersection targets of Guishaozhenxian Tablet in the treatment of TLE were obtained using a Venn diagram. The medicinal herb-component-target network diagram was constructed using the Cytoscape 3.8.2 software, and the core components and key molecular targets were analyzed.Gene Ontology enrichment and the Kyoto encyclopedia of genes and genomes were used to analyze the biological processes and related pathways. The first three key targets and their corresponding top two core compounds were validated using molecular docking. In total, 127 active ingredients and 46 related targets were identified, with 14 ingredients, including β-sitosterol, quercetin, and kaempferol, playing a central role in 11 key targets such as CALM1, SCN5A, and GSK3B. The anti-TLE effect was primarily due to biological processes (regulation of membrane potential, response to drug, etc.), cell components (postsynaptic membrane, dendrites, etc.), molecular functions (channel activity, calmodulin binding, etc.), neuroactive ligand-receptor interaction, nicotine addiction, and other related pathways. Molecular docking results showed that CALM1, SCN5A, and GSK3B had good binding abilities with core compounds. Guishaozhenxian Tablet can reduce oxidative damage; protect neurons; affect ion channels and receptors, intracellular signal transduction, apoptosis, and synaptic structure; and exert anti-TLE effects via multi-components, multi-targets, and multi-pathway coordination.

Key words: network pharmacology, molecular docking, Guishaozhenxian Tablet, temporal lobe epilepsy, mechanism of action

CLC Number:

R285.5

ZHAO Xin, HUANG Biyun, WU Dan, ZHANG Mei. The mechanism of Guishaozhenxian Tablet in the treatment of temporal lobe epilepsy based on network pharmacology and molecular docking[J].Shandong Science, 2023, 36(3): 27-37.

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References 20

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药材	成分数	成药性筛选后		药材-疾病靶点交集后
药材	成分数	有效成分数	药物靶点数	有效成分数	有效靶点数
桂枝	220	7	51	2	14
党参	134	21	107	7	20
柴胡	349	17	186	8	30
甘草	280	92	226	81	34
大枣	133	29	201	14	35
白芍	85	13	89	4	20
半夏	116	13	97	6	17
黄芩	143	36	121	21	18
生姜	265	5	55	3	15
合计(去重后)	—	206	285	127	46

类型	GO条目	描述	-lg P
BP	0060078	突触后膜电位的调节	14.8
	0042391	膜电位调节	13.7
	0098916	顺行跨突触信号	12.8
CC	0032590	树突膜	11.9
	1902711	GABA_A受体复合物	11.5
	1902710	GABA受体复合物	11.4
MF	0008503	苯二氮卓受体活性	12.9
	0022851	GABA门控氯离子通道活性	12.4
	0005237	抑制细胞外配体门控离子通道活性	12.1

通路名称	富集靶标
神经活性配体-受体相互作用	GABRA2, GABRA1, GRIA2, CHRNA2, GABRA6, GABRA5, CHRNA7, GABRA3, OPRM1, DRD2, ADRA2B
尼古丁成瘾	GABRA2, GABRA1, GRIA2, GABRA6, GABRA5, CHRNA7, GABRA3

The mechanism of Guishaozhenxian Tablet in the treatment of temporal lobe epilepsy based on network pharmacology and molecular docking

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