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基于网络药理学和分子对接技术的孕激素治疗创伤性脑损伤的机制。

Mechanism of Progesterone in Treatment of Traumatic Brain Injury Based on Network Pharmacology and Molecular Docking Technology.

机构信息

Department of Critical Care Medicine, The Third People's Hospital of Longgang District, Shenzhen, Guangdong, China (mainland).

Graduate Department, Weifang Medical College, Weifang, Shandong, China (mainland).

出版信息

Med Sci Monit. 2022 Nov 7;28:e937564. doi: 10.12659/MSM.937564.

Abstract

BACKGROUND Previous studies have confirmed that progesterone has a protective effect on traumatic brain injury (TBI). In this paper, network pharmacology and molecular docking technology were used to further explore the potential mechanism of progesterone in the treatment of TBI. MATERIAL AND METHODS Based on network pharmacology, potential targets of progesterone for TBI were obtained. The network diagram of interactions between target proteins was established to screen the key targets of progesterone for TBI. The DAVID database was used to analyze its biological function and enrichment pathway, and to explore and determine the biological pathway of progesterone in treating TBI. Molecular docking technology was used to simulate the interaction between progesterone and key target proteins. RESULTS Progesterone can treat TBI by anti-inflammatory action, repairing damaged cell membranes, stabilizing the structure of the blood-brain barrier, alleviating brain edema, reducing neuronal apoptosis, and improving neurological function. The molecular mechanism involves the PI3K/Akt signaling pathway, MAPK signaling pathway, and Ras signaling pathway. CONCLUSIONS Progesterone is a potential clinical treatment for TBI. Exploring the potential targets and pathways of TBI therapy through network pharmacology can provide a direction for subsequent research.

摘要

背景

先前的研究已经证实,孕酮对创伤性脑损伤(TBI)具有保护作用。在本文中,我们使用网络药理学和分子对接技术进一步探讨了孕酮治疗 TBI 的潜在机制。

材料和方法

基于网络药理学,获得了孕酮治疗 TBI 的潜在靶点。建立了靶蛋白相互作用网络图,筛选出孕酮治疗 TBI 的关键靶点。使用 DAVID 数据库分析其生物学功能和富集途径,探讨并确定孕酮治疗 TBI 的生物学途径。采用分子对接技术模拟孕酮与关键靶蛋白的相互作用。

结果

孕酮通过抗炎作用、修复受损的细胞膜、稳定血脑屏障的结构、减轻脑水肿、减少神经元凋亡和改善神经功能来治疗 TBI。其分子机制涉及 PI3K/Akt 信号通路、MAPK 信号通路和 Ras 信号通路。

结论

孕酮是 TBI 的一种有潜力的临床治疗方法。通过网络药理学探索 TBI 治疗的潜在靶点和途径,可以为后续研究提供方向。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/941c/9651184/0985b9c9e787/medscimonit-28-e937564-g001.jpg

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