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基于分子对接技术预测苓桂术甘汤防治慢性心力衰竭的作用机制*(PDF)

《云南中医学院学报》[ISSN:1000-2723/CN:53-1048/R]

期数:
2018年04期
页码:
82-87
栏目:
方药研究
出版日期:
2019-03-25

文章信息/Info

Title:
Prediction of the Mechanism of Linggui Zhugan Decoction in Preventing and Treating Chronic Heart Failure Based on Molecular Docking
文章编号:
1000 - 2723(2018)04 - 0082 - 06
作者:
周鹏123杨建澳1许继公1王国强1李莹莹1丁婉雪1王靓123黄金玲123△
(1. 安徽中医药大学中西医结合学院,安徽 合肥 230012;2. 安徽中医药科学院中西医结合研究所,安徽 合肥 230012;3. 中药复方安徽省重点实验室,安徽 合肥 230012)
Author(s):
ZHOU Peng123 YANG Jianao1 XU Jigong1 WANG Guoqiang1 LI Yingying1 DING Wanxue1 WANG Liang123 HUANG Jinling 123
(1. Department of Integrated Traditional Chinese and Western Medicine, Anhui Universityof Chinese Medicine, Hefei 230012, China; 2. Research Institute of Integrated Traditional Chinese and Western Medicine, Anhui Academy of Chinese Medicine, Hefei 230012,
关键词:
分子对接 苓桂术甘汤 慢性心力衰竭 作用机制 AMPK/SIRT1/NF-κB信号通路
Keywords:
molecular docking Linggui Zhugan decoction chronic heart failure mechanism AMPK/SIRT1/NF-κB signaling pathway
分类号:
R289.5
DOI:
10.19288/j.cnki.issn.1000-2723.2018.04.021
文献标识码:
A
摘要:
目的采用分子对接技术预测苓桂术甘汤防治慢性心力衰竭的作用机制。方法运用分子对接软件MOE(Molecule Operating Environment),将苓桂术甘汤中的特征性化学成分与AMPK/SIRT1/NF-κB炎症信号通路中的关键靶点AMPK、SIRT1、IKKβ进行分子对接,对分子对接结果进行分析。结果甘草苷与AMPK、SIRT1、IKKβ靶点的结合能力均高于自身配体,其他化学成分与AMPK、SIRT1、IKKβ靶点均有不同程度的结合。结论分子对接技术预测苓桂术甘汤可能作用于AMPK/SIRT1/NF-κB炎症信号通路,为揭示苓桂术甘汤防治慢性心力衰竭的抗炎作用机制提供理论依据。
Abstract:
Objective On the basis of molecular docking, to predict the mechanism of Linggui Zhugan Decoction in preventing and treating chronic heart failure. Methods Characteristic constituents of Linggui Zhugan Decoction docked with AMPK, SIRT1 and IKKβ targets of AMPK/SIRT1/NF-κB signaling pathway by using Molecule Operating Environment(MOE)software. Results The binding capacity of liquiritin to AMPK, SIRT1 and IKKβ targets are higher than those of their own ligands. Other chemical components have different degrees of binding with AMPK, SIRT1 and IKKβ targets. Conclusion Molecular docking predicts that Linggui Zhugan Decoction may play an important role in AMPK/SIRT1/NF-κB signaling pathway, and it will provide a theoretical basis for revealing the anti-inflammatory mechanism of Linggui Zhugan Decoction in preventing and treating chronic heart failure.

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备注/Memo

备注/Memo:
收稿日期: 2018 - 08- 09
*基金项目: 国家自然科学基金面上项目(81373533);安徽高校自然科学研究重点项目(KJ2017A303);2017年研究生科 技创新基金(2017YB12);安徽中医药大学2018年度大学生创新创业基金项目(2018158)
第一作者简介: 周鹏(1986-),男,讲师,博士,研究方向:中药活性成分分析及作用机制。
△通信作者: 黄金玲,E-mail:jinling6181@126.com
更新日期/Last Update: 2018-10-30