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运用网络药理学和分子对接技术探索[药物名称]治疗抑郁症的作用机制。 (注:原文中“of”后面缺少具体药物名称)

Exploring the mechanisms of action of for the treatment of depression using network pharmacology and molecular docking.

作者信息

Zhang Xingfang, Wang Mengyuan, Qiao Yajun, Shan Zhongshu, Yang Mengmeng, Li Guoqiang, Xiao Yuancan, Wei Lixin, Bi Hongtao, Gao Tingting

机构信息

Department of Psychiatry, The People's Hospital of Jiangmen, Southern Medical University, Jiangmen, China.

Qinghai Provincial Key Laboratory of Tibetan Medicine Pharmacology and Safety Evaluation, Northwest Institute of Plateau Biology, Chinese Academy of Sciences, Xining, China.

出版信息

Ann Transl Med. 2022 Mar;10(6):282. doi: 10.21037/atm-22-762.

Abstract

BACKGROUND

Depression is the most common type of psychological disorder, with continuous, prolonged, and persistent bad moods as the main clinical feature. is a complex consisting of the ascospores and bodies of insect larvae from the Hepialidae family that have been parasitized by militaris. Previous studies have reported that this herb has antidepressant activity. The present study used network pharmacology and molecular docking techniques to investigate the potential antidepressant mechanisms of .

METHODS

The active ingredients of were identified using the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP) and the potential targets were predicted using the PharmMapper platform. The GeneCards database was then used to obtain sub-targets for depression. Common targets were screened and enrichment analyses were performed using the Metascape platform. Finally, the relationship between the active ingredients and the core targets were verified by molecular docking.

RESULTS

Through network pharmacological analysis, 7 active ingredients in and 41 common targets of drugs and diseases were identified. The active ingredients of may exert antidepressant effects by acting on important targets such as catalase (CAT), CREB binding protein (CREBBP), epidermal growth factor (EGF), and E1A binding protein P300 (EP300), and by modulating the signaling pathways in which these targets are involved. Subsequently, the core targets were docked to the active ingredients and good binding was observed.

CONCLUSIONS

The active ingredients of may exert antidepressant effects by regulating the CREB binding protein and anti-oxidative stress effects. The signaling pathway (hsa04068), hypoxia-inducible factor 1 (HIF-1) signaling pathway (hsa04066), and Huntington's disease (hsa05016) may be involved in the underlying mechanisms of . The joint application of network pharmacology and molecular docking provides a new approach to study the mechanisms of action of traditional Chinese medicine. may play an important role in the future treatment of patients with depression.

摘要

背景

抑郁症是最常见的心理障碍类型,以持续、长期和持久的不良情绪为主要临床特征。[此处原文缺失具体药名]是一种复合体,由被[此处原文缺失具体菌名]寄生的蝙蝠蛾科昆虫幼虫的子囊孢子和虫体组成。先前的研究报道这种草药具有抗抑郁活性。本研究采用网络药理学和分子对接技术来探究[此处原文缺失具体药名]潜在的抗抑郁机制。

方法

使用中药系统药理学数据库与分析平台(TCMSP)鉴定[此处原文缺失具体药名]的活性成分,并使用PharmMapper平台预测潜在靶点。然后利用GeneCards数据库获取抑郁症的子靶点。筛选共同靶点并使用Metascape平台进行富集分析。最后,通过分子对接验证活性成分与核心靶点之间的关系。

结果

通过网络药理学分析,鉴定出[此处原文缺失具体药名]中的7种活性成分以及药物与疾病的41个共同靶点。[此处原文缺失具体药名]的活性成分可能通过作用于过氧化氢酶(CAT)、CREB结合蛋白(CREBBP)、表皮生长因子(EGF)和E1A结合蛋白P300(EP300)等重要靶点,并调节这些靶点所参与的信号通路来发挥抗抑郁作用。随后,将核心靶点与活性成分进行对接,观察到良好的结合。

结论

[此处原文缺失具体药名]的活性成分可能通过调节CREB结合蛋白和抗氧化应激作用来发挥抗抑郁作用。[此处原文缺失具体信号通路名称]信号通路(hsa04068)、缺氧诱导因子1(HIF - 1)信号通路(hsa04066)和亨廷顿病(hsa05016)可能参与了[此处原文缺失具体药名]的潜在作用机制。网络药理学与分子对接的联合应用为研究中药作用机制提供了一种新方法。[此处原文缺失具体药名]可能在未来抑郁症患者的治疗中发挥重要作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8d3e/9011256/daf2c1cdeac1/atm-10-06-282-f1.jpg

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