Network Pharmacology-Based and Molecular Docking-Based Analysis of Suanzaoren Decoction for the Treatment of Parkinson's Disease with Sleep Disorder

Overview

Journal Biomed Res Int

Publisher Wiley

Specialties Biomedical Engineering
Biotechnology
General Medicine

Date 2021 Oct 18

PMID 34660782

Citations 15

Authors

Yan-Yun Liu

Li-Hua Yu

Juan Zhang

Dao-Jun Xie

Xin-Xiang Zhang

Jia-Ming Yu

Affiliations

Soon will be listed here.

Abstract

This study is aimed at exploring the possible mechanism of action of the Suanzaoren decoction (SZRD) in the treatment of Parkinson's disease with sleep disorder (PDSD) based on network pharmacology and molecular docking. Traditional Chinese Medicine Systems Pharmacology (TCMSP) was used to screen the bioactive components and targets of SZRD, and their targets were standardized using the UniProt platform. The disease targets of "Parkinson's disease (PD)" and "Sleep disorder (SD)" were collected by OMIM, GeneCards, and DisGeNET databases. Thereafter, the protein-protein interaction (PPI) network was constructed using the STRING platform and visualized by Cytoscape (3.7.2) software. Then, the DAVID platform was used to analyze the Gene Ontology (GO) enrichment analysis and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway. Cytoscape (3.7.2) software was also used to construct the network of the "herb-component-target-pathway." The core active ingredients and core action targets of the drug were verified by molecular docking using AutoDock software. A total of 135 Chinese herbal components and 41 corresponding targets were predicted for the treatment of PDSD using SZRD. Fifteen important signaling pathways were screened, such as the cancer pathway, TNF signaling pathway, PI3K-AKT signaling pathway, HIF-1 signaling pathway, and Toll-like receptor signaling pathway. The results of molecular docking showed that the main active compounds could bind to the representative targets and exhibit good affinity. This study revealed that SZRD has the characteristics and advantages of "multicomponent, multitarget, and multipathway" in the treatment of PDSD; among these, the combination of the main active components of quercetin and kaempferol with the key targets of , , , , and may be one of the important mechanisms. This study provides a theoretical basis for further study of the material basis and molecular mechanism of SZRD in the treatment of PDSD.

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References

Safran M, Dalah I, Alexander J, Rosen N, Iny Stein T, Shmoish M . GeneCards Version 3: the human gene integrator. Database (Oxford). 2010; 2010:baq020. PMC: 2938269. DOI: 10.1093/database/baq020. View

Yang C, Sun N, Ren Y, Sun Y, Xu Y, Li A . Association between AKT1 gene polymorphisms and depressive symptoms in the Chinese Han population with major depressive disorder. Neural Regen Res. 2015; 7(3):235-9. PMC: 4353122. DOI: 10.3969/j.issn.1673-5374.2012.03.014. View

Singh S, Kumar P . Piperine in combination with quercetin halt 6-OHDA induced neurodegeneration in experimental rats: Biochemical and neurochemical evidences. Neurosci Res. 2017; 133:38-47. DOI: 10.1016/j.neures.2017.10.006. View

Shannon P, Markiel A, Ozier O, Baliga N, Wang J, Ramage D . Cytoscape: a software environment for integrated models of biomolecular interaction networks. Genome Res. 2003; 13(11):2498-504. PMC: 403769. DOI: 10.1101/gr.1239303. View

Zhang Z, Yan J, Chang Y, ShiDu Yan S, Shi H . Hypoxia inducible factor-1 as a target for neurodegenerative diseases. Curr Med Chem. 2011; 18(28):4335-43. PMC: 3213300. DOI: 10.2174/092986711797200426. View

Matsuda F, Inoue N, Maeda A, Cheng Y, Sai T, Gonda H . Expression and function of apoptosis initiator FOXO3 in granulosa cells during follicular atresia in pig ovaries. J Reprod Dev. 2010; 57(1):151-8. DOI: 10.1262/jrd.10-124h. View

Szklarczyk D, Gable A, Lyon D, Junge A, Wyder S, Huerta-Cepas J . STRING v11: protein-protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets. Nucleic Acids Res. 2018; 47(D1):D607-D613. PMC: 6323986. DOI: 10.1093/nar/gky1131. View

Zhan L, Dong Y, Yang K, Lei S, Li B, Teng X . Soporific Effect of Modified Suanzaoren Decoction and Its Effects on the Expression of CCK-8 and Orexin-A. Evid Based Complement Alternat Med. 2020; 2020:6984087. PMC: 7315314. DOI: 10.1155/2020/6984087. View

Luyendyk J, Schabbauer G, Tencati M, Holscher T, Pawlinski R, Mackman N . Genetic analysis of the role of the PI3K-Akt pathway in lipopolysaccharide-induced cytokine and tissue factor gene expression in monocytes/macrophages. J Immunol. 2008; 180(6):4218-26. PMC: 2834303. DOI: 10.4049/jimmunol.180.6.4218. View

10.

Juri C, Chana P, Tapia J, Kunstmann C, Parrao T . Quetiapine for insomnia in Parkinson disease: results from an open-label trial. Clin Neuropharmacol. 2005; 28(4):185-7. DOI: 10.1097/01.wnf.0000174932.82134.e2. View

11.

Soucek P, Kondrova E, Hermanek J, Stopka P, Boumendjel A, Ueng Y . New model system for testing effects of flavonoids on doxorubicin-related formation of hydroxyl radicals. Anticancer Drugs. 2011; 22(2):176-84. DOI: 10.1097/cad.0b013e328341a17b. View

12.

Shi Y, Meng X, Xu Y, Tian X . Role of FOXO protein's abnormal activation through PI3K/AKT pathway in platinum resistance of ovarian cancer. J Obstet Gynaecol Res. 2021; 47(6):1946-1957. DOI: 10.1111/jog.14753. View

13.

Wei H, Du M, Bai H . [Correlations of Melatonin and Glutathione Levels with Oxidative Stress Mechanism in Parkinson's Disease]. Zhongguo Yi Xue Ke Xue Yuan Xue Bao. 2019; 41(2):183-187. DOI: 10.3881/j.issn.1000-503X.10775. View

14.

Zhang L, Zhang R, Shen Y, Qiao S, Hui Z, Chen J . Shimian granules improve sleep, mood and performance of shift nurses in association changes in melatonin and cytokine biomarkers: a randomized, double-blind, placebo-controlled pilot study. Chronobiol Int. 2020; 37(4):592-605. DOI: 10.1080/07420528.2020.1730880. View

15.

Yang B, Zhang A, Sun H, Dong W, Yan G, Li T . Metabolomic study of insomnia and intervention effects of Suanzaoren decoction using ultra-performance liquid-chromatography/electrospray-ionization synapt high-definition mass spectrometry. J Pharm Biomed Anal. 2011; 58:113-24. DOI: 10.1016/j.jpba.2011.09.033. View

16.

Tang Y, Li Y, Yu H, Gao C, Liu L, Xing M . Quercetin attenuates chronic ethanol hepatotoxicity: implication of "free" iron uptake and release. Food Chem Toxicol. 2014; 67:131-8. DOI: 10.1016/j.fct.2014.02.022. View

17.

Nakatani Y, Amano T, Yamamoto H, Sakai N, Tsuji M, Takeda H . Yokukansan enhances the proliferation of B65 neuroblastoma. J Tradit Complement Med. 2017; 7(1):34-44. PMC: 5198832. DOI: 10.1016/j.jtcme.2016.01.006. View

18.

Huang D, Sherman B, Lempicki R . Systematic and integrative analysis of large gene lists using DAVID bioinformatics resources. Nat Protoc. 2009; 4(1):44-57. DOI: 10.1038/nprot.2008.211. View

19.

Bao D, Wang J, Pang X, Liu H . Protective Effect of Quercetin against Oxidative Stress-Induced Cytotoxicity in Rat Pheochromocytoma (PC-12) Cells. Molecules. 2017; 22(7). PMC: 6152301. DOI: 10.3390/molecules22071122. View

20.

Goodsell D, Zardecki C, Di Costanzo L, Duarte J, Hudson B, Persikova I . RCSB Protein Data Bank: Enabling biomedical research and drug discovery. Protein Sci. 2019; 29(1):52-65. PMC: 6933845. DOI: 10.1002/pro.3730. View