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

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