Integrated Network Pharmacology and Comprehensive Bioinformatics Identifying the Mechanisms and Molecular Targets of Yizhiqingxin Formula for Treatment of Comorbidity With Alzheimer's Disease and Depression.
Integrated Network Pharmacology and Comprehensive Bioinformatics Identifying the Mechanisms and Molecular Targets of Yizhiqingxin Formula for Treatment of Comorbidity With Alzheimer's Disease and Depression.
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综合网络药理学和综合生物信息学确定益智清心方治疗阿尔茨海默病和抑郁症合并症的机制和分子靶点
DOI：
10.3389/fphar.2022.853375
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发表时间：
2022
影响因子：
5.6
通讯作者：
Li, Hao
中科院分区：
文献类型：
--
作者：
Zhang, Tingting;Wei, Wei;Chang, Surui;Liu, Nanyang;Li, Hao
背景：益智清心方（YZQX）用于治疗阿尔茨海默病（AD）和抑郁症（MDD）。然而，其具体的潜在机制和治疗靶点仍不清楚。 方法：利用TCMSP和Drugbank数据库筛选YZQX的成分和推定作用靶点。然后，使用GEO数据库检索AD或MDD和正常组织中的相关差异表达基因（DEG）。建立PPI网络，合并并进一步筛选，以确定YZQX对抗AD和MDD合并症的主要成分和核心靶点。我们进行了核心目标的富集分析，以确定生物过程和途径。最后，使用AutoDock软件验证直接作用的关键靶标与其相应成分之间的结合亲和力。 结果：从YZQX中鉴定出43个成分，筛选出43个成分，得到504个目标化合物。通过建立PPI网络，在核心网络中将92个靶点作为YZQX针对AD和MDD共病的靶点。有希望的靶点（HSP90AA1、ESR1、AKT1、VCAM 1、EGFR、CDK1、MAPK 1、CDK2、MYC、HSPB1和HSPA5）和信号通路（PI3K-Akt信号通路、泛素介导的蛋白水解、MAPK信号通路等）筛选并完善，以阐明YZQX对AD和MDD合并症的潜在机制。分子对接证实了YZQX的成分（槲皮素和山奈酚）可以很好地结合多个关键靶点。 结论：YZQX的成分，如槲皮素和山奈酚，可能通过作用于多个靶点和途径来治疗AD和MDD共病。
Background: The Yizhiqinxin formula (YZQX) has been used to treat Alzheimer’s disease (AD) or major depression disorder (MDD). However, its specific underlying mechanisms and therapeutic targets remain unclear. Methods: The ingredients and putative targets of YZQX were screened using the TCMSP and Drugbank databases. Next, the GEO database was used to retrieve relevant differentially expressed genes (DEGs) in AD or MDD and normal tissues. The PPI network was established, merged, and further screened to identify the main ingredients and core targets of YZQX against AD and MDD comorbidities. We performed enrichment analysis of core targets to identify biological processes and pathways. Finally, AutoDock software was used to validate the binding affinity between the crucial targets of direct action and their corresponding ingredients. Results: A total of 43 ingredients were identified from YZQX, of which 43 were screened to yield 504 targets. By establishing the PPI network, 92 targets were regarded as targets of YZQX against AD and MDD comorbidities in the core network. Promising targets (HSP90AA1, ESR1, AKT1, VCAM1, EGFR, CDK1, MAPK1, CDK2, MYC, HSPB1, and HSPA5) and signaling pathways (PI3K-Akt signaling pathway, ubiquitin-mediated proteolysis, MAPK signaling pathway, etc.) were filtered and refined to elucidate the underlying mechanism of YZQX against AD and MDD comorbidities. Molecular docking confirmed the ingredients of YZQX (quercetin and kaempferol) could bind well to multiple crucial targets. Conclusion: The ingredients of YZQX, such as quercetin and kaempferol, might treat AD and MDD comorbidities by acting on multiple targets and pathways.
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影响因子：
6.1
作者：
Fiorini R;Luzzi S;Vignini A
通讯作者：
Vignini A
影响因子：
14
作者：
通讯作者：
--
DOI：
10.1017/s0007114515002950
发表时间：
2015-10-28
期刊：
The British journal of nutrition
影响因子：
--
作者：
Brüll V;Burak C;Stoffel-Wagner B;Wolffram S;Nickenig G;Müller C;Langguth P;Alteheld B;Fimmers R;Naaf S;Zimmermann BF;Stehle P;Egert S
通讯作者：
Egert S
影响因子：
5.6
作者：
Gaillard, Thomas
通讯作者：
Gaillard, Thomas
影响因子：
4.1
作者：
Kheiri, Ghazaleh;Dolatshahi, Mahsa;Rezaei, Nima
通讯作者：
Rezaei, Nima