Network Pharmacology and Molecular Docking-Based Strategy to Investigate the Multitarget Mechanisms of Shenqi Yizhi Granule on Alzheimer's Disease

Linshuang Wang; Xiaoyu Xu; Zikang Wang; Qian Chen; Xiaodie Wei; Jingfan Xue; Zhanjun Zhang; Miao Wang; Yanping Li; Junying Zhang; Dongfeng Wei

doi:10.1155/2022/8032036

Network Pharmacology and Molecular Docking-Based Strategy to Investigate the Multitarget Mechanisms of Shenqi Yizhi Granule on Alzheimer's Disease

Evid Based Complement Alternat Med. 2022 Apr 30:2022:8032036. doi: 10.1155/2022/8032036. eCollection 2022.

Authors

Linshuang Wang¹, Xiaoyu Xu^{2

3}, Zikang Wang², Qian Chen², Xiaodie Wei⁴, Jingfan Xue⁵, Zhanjun Zhang^{6

7}, Miao Wang², Yanping Li^{2

3}, Junying Zhang¹, Dongfeng Wei¹

Affiliations

¹ Institute of Basic Research in Clinical Medicine, China Academy of Chinese Medical Sciences, Beijing 100700, China.
² College of Traditional Chinese Medicine, Chongqing Medical University, Chongqing 400016, China.
³ Department of Rheumatology, Chongqing Hospital of Traditional Chinese Medicine, Chongqing 400021, China.
⁴ Xi'an Medical University, Xi'an 710000, China.
⁵ Huaiyin Normal University, Huai'an 223001, China.
⁶ State Key Laboratory of Cognitive Neuroscience and Learning & IDG/McGovern Institute for Brain Research, Beijing Normal University, Beijing 100875, China.
⁷ BABRI Centre, Beijing Normal University, Beijing 100875, China.

Abstract

Background: Traditional Chinese herbal medicine draws more attention to explore an effective therapeutic strategy for Alzheimer's disease (AD). Shenqi Yizhi granule (SQYG), a Chinese herbal recipe, has been applied to ameliorate cognitive impairment in mild-to-moderate AD patients. However, the overall molecular mechanism of SQYG in treating AD has not been clarified.

Objective: This study aimed to investigate the molecular mechanism of SQYG on AD using an integration strategy of network pharmacology and molecular docking.

Methods: The active compounds of SQYG and common targets between SQYG and AD were screened from databases. The herb-compound network, compound-target network, and protein-protein interaction network were constructed. The enrichment analysis of common targets and molecular docking were performed.

Results: 816 compounds and 307 common targets between SQYG and AD were screened. KEGG analysis revealed that common targets were mainly enriched in lipid metabolism, metal ion metabolism, IL-17 signaling pathway, GABA receptor signaling, and neuroactive ligand-receptor interaction. Molecular docking analysis showed high binding affinity between ginsenoside Rg1 and Aβ _1-42, tanshinone IIA and BACE1, baicalin, and AchE.

Conclusions: The therapeutic mechanisms of SQYG on AD were associated with regulating lipid metabolism, metal ion metabolism, IL-17 signaling pathway, and GABA receptor signaling. Ginsenoside Rg1, tanshinone IIA, baicalin, astragaloside IV, and folic acid may play an important role in AD treatment.