网络药理学预测,分子对接和基于分子动力学模拟的策略,以探索黄山滴液药丸对抗喘的潜在机制
Xiaoyu Wang1, Yansu Ji2, Xin Jin3
1College of Pharmaceutical Engineering of Traditional Chinese Medicine, Tianjin University of Traditional Chinese Medicine, State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Haihe Laboratory of Modern Chinese Medicine, Tianjin Key Laboratory of Intelligent and Green Pharmaceuticals for Traditional Chinese Medicine, 10 Poyang Lake Road, West Zone of Tuanbo New City, Jinghai District, Tianjin 301617, China.
华山滴剂 (HSS) 通过抑制NF-κB信号通路来减少喘中的呼吸道炎症. 这项研究阐明了HSS背后的分子机制.
科学领域:
- 药理学和免疫学 药理学和免疫学
- 传统中国医学的研究.
- 分子生物学分子生物学
背景情况:
- 喘是一种慢性呼吸道炎症疾病.
- 华山申滴水药 (HSS) 用于缓解喘症状.
- 在治疗喘时,HSS的精确分子机制尚未完全理解.
研究的目的:
- 通过网络药理学和分子对接来研究HSS治疗喘的治疗途径.
- 在卵胺诱导喘小鼠模型中验证预测的机制.
主要方法:
- 网络药理学,分子对接和分子动力学模拟用于途径预测.
- 为了实验验证,建立了一个卵胺诱导的小鼠模型.
- 技术包括RT-qPCR,西部斑点和免疫光测试.
主要成果:
- 高血压改善了肺功能和减少了呼吸道炎症,由BALF中的炎症细胞透率和乙氨基细胞减少所证明.
- 高血压降低了炎症性细胞因子水平和IL-4,IL-5和IL-13mRNA的表达.
- 观察到抑制NF-κB p65酸化和核转位.
结论:
- 在喘小鼠中,HSS有效降低了呼吸道炎症.
- HSS的治疗效果通过抑制NF-κB信号通路进行介导.
- 这项研究提供了关于HSS用于喘治疗的分子见解.
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