首页|基于网络药理学和分子对接探讨通窍耳聋丸治疗眩晕的作用机制

基于网络药理学和分子对接探讨通窍耳聋丸治疗眩晕的作用机制

扫码查看
目的 采用网络药理学及分子对接技术,研究通窍耳聋丸治疗眩晕的作用机制。方法 利用TCMSP和其他网络数据得到通窍耳聋丸中有效成分及其治疗眩晕的靶点,构建靶点-靶点及药物-靶点间相互作用网络,然后对靶点进行GO功能和KEGG信号通路富集分析及分子对接研究。结果 通窍耳聋丸中共有108种成分与眩晕相关的132个潜在靶点存在相互作用。这些靶点主要分布于钙离子信号、神经活性配体-受体相互作用、多巴胺能突触、多种神经退行性疾病、血清素突触、人类巨细胞病毒感染、瞬时受体电位(TRP)通道的炎症介质调节、血脂和动脉粥样硬化等8条通路。分子对接计算表明通窍耳聋丸中部分有效成分对丝氨酸/苏氨酸激酶1(AKT1)、肿瘤坏死因子(TNF)、前列腺素内过氧化物合酶2(PTGS2)、血管紧张素转化酶(ACE)、血管紧张素Ⅱ受体1(AGTR1)和钙调蛋白1(CALM1)具有较强的亲和力。结论 通窍耳聋丸可通过降血压、降血脂、抗炎、抗病毒、神经保护等途径发挥治疗眩晕的作用,可作为抗眩晕药物进行进一步开发和研究。
Exploring the action mechanism of Tongqiao Erlong Pill in the treatment of vertigo based on network pharmacology and molecular docking
Objective To study the action mechanism of Tongqiao Erlong Pill in the treatment of vertigo based on network pharmacology and molecular docking. Methods TCMSP and other network data were used to obtain the effective components of Tongqiao Erlong Pill and its therapeutic targets for vertigo,constructed target-target and drug-target interaction networks. Analysis of the GO function and KEGG signaling pathway enrichment and molecular docking studies on the targets. Results There were 108 components from Tongqiao Erlong Pill interacting with 132 potential targets related to vertigo. These targets were mainly distributed in 8 pathways,including calcium signal,neuroactive ligand-receptor interaction,dopaminergic synapses,multiple neurodegenerative diseases,serotonin synapses,human cytomegalovirus infection,inflammatory mediator modulation of transient receptor potential (TRP) channels,lipids and atherosclerosis. Molecular docking calculations indicated that some of the active ingredients in Tongqiao Ear Deafness Pill had strong affinity to several key targets including serine/threonine-kinase 1 (AKT1),tumor necrosis factor (TNF),prostaglandin-endoperoxidase synthase 2 (PTGS2),angiotensin converting enzyme (ACE),angiotensin Ⅱ type 1 receptor (AGTR1),and calmodulin 1 (CALM1). Conclusion Tongqiao Erlong Pill can play a role in the treatment of vertigo by lowering blood pressure,reducing blood lipids,anti-inflammatory,antiviral,neuroprotective and other ways,and may deserve further development and research as an anti-vertigo drug.

Network pharmacologyMolecular dockingTongqiao Erlong PillVertigo

张明波、陈媛、王晓慧、曲扬、徐志立

展开 >

116600 辽宁中医药大学药学院

052460 河北永丰药业有限公司

网络药理学 分子对接计算 通窍耳聋丸 眩晕

2024

中国现代药物应用
中国水利电力医学科学技术学会

中国现代药物应用

影响因子:0.862
ISSN:1673-9523
年,卷(期):2024.18(23)