Exploring the Molecular Mechanism of Qing Guang An Granule in Treating Glaucoma Using Network Pharmacology and Molecular Docking.
Exploring the Molecular Mechanism of Qing Guang An Granule in Treating Glaucoma Using Network Pharmacology and Molecular Docking.
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利用网络药理学和分子对接探讨青光安颗粒治疗青光眼的分子机制
DOI：
10.1155/2020/8824150
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发表时间：
2020
期刊：
影响因子：
--
通讯作者：
Peng Q
中科院分区：
文献类型：
--
作者：
Ou C;Song H;Zhou Y;Peng J;Peng Q
背景青光安颗粒是一种治疗青光眼的中成药，临床应用已有20余年。目的应用网络药理学和分子对接技术探讨QGAG治疗青光眼的可能机制。方法利用中药系统药理学数据库及分析平台（TCMSP）检索QGAG中各中药的活性成分及作用靶点。从OMIM和DisGeNET数据库中获取青光眼相关靶标。通过维恩图重叠上述靶点，获得QGAG抗青光眼的关键靶点。使用大卫，对关键靶标进行基因本体（GO）富集分析和京都基因和基因组百科全书（KEGG）途径分析。使用AutoDock 4.2.6和AutoDock维纳1.1.2进行对接过程。结果共筛选出55个活性化合物和173个靶点，构建了化合物-靶点网络。获得了QGAG治疗青光眼的20个关键靶点，这些靶点涉及细胞凋亡过程、细胞对缺氧的反应、细胞生长的负调节和卵泡发育。其主要通路有p53、HIF-1、PI 3 K-Akt和神经营养因子信号通路。结论QGAG可能在分子水平和全身水平对视神经产生保护作用。本研究可为今后探索QGAG治疗青光眼的研究提供一定的依据，并为新药开发提供新思路。
Background Qing Guang An Granule (QGAG), a Chinese patent medicine, has been used clinically to treat glaucoma for more than 20 years. Objective To explore the possible mechanism of treatment of QGAG in glaucoma by using network pharmacology and molecular docking in this study. Methods Active compounds and targets of each herb in QGAG were retrieved via the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform (TCMSP). Glaucoma-related targets were acquired from OMIM and DisGeNET database. Key targets of QGAG against glaucoma were acquired by overlapping the above targets via the Venn diagram. Using the DAVID, Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway analysis of the key targets were performed. The docking process was performed using the AutoDock 4.2.6 and AutoDock Vina 1.1.2. Results The 55 active compounds and 173 targets were obtained and constructed a compound-target network. The 20 key targets of QGAG in treating glaucoma were acquired, and these targets are involved in the apoptotic process, cellular response to hypoxia, negative regulation of cell growth, and ovarian follicle development. The main pathways are p53, HIF-1, PI3K-Akt, and neurotrophin signaling pathway. Conclusion QGAG may exert a protective effect by acting on the optic nerve at a molecular and systemic level. This study can provide a certain basis for future researches on exploring the QGAG in treating glaucoma and provide new ideas for developing new drugs.
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影响因子：
--
作者：
Grambergs R;Mondal K;Mandal N
通讯作者：
Mandal N
DOI：
10.1186/s12993-015-0054-z
发表时间：
2015-02-18
期刊：
Behavioral and brain functions : BBF
影响因子：
--
作者：
Wang H;Ye M;Yu L;Wang J;Guo Y;Lei W;Yang J
通讯作者：
Yang J
影响因子：
5.3
作者：
Bucolo C;Platania CBM;Drago F;Bonfiglio V;Reibaldi M;Avitabile T;Uva M
通讯作者：
Uva M
影响因子：
4.1
作者：
Keel, Stuart;Xie, Jing;Dirani, Mohamed
通讯作者：
Dirani, Mohamed
影响因子：
4.6
作者：
Jain, Aashish;Kihara, Daisuke
通讯作者：
Kihara, Daisuke