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

Yan-Yun Liu,Dao-Jun Xie,Li-Hua Yu,Xin-Xiang Zhang,Jia-Ming Yu,Juan Zhang,Bilal Alatas

doi:10.1155/2021/1752570

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 AKT1, IL6, MAPK1, TP53, and VEGFA 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.

Highlights

Parkinson’s disease (PD) is a common neurodegenerative disease in middle-aged and elderly individuals
Cytoscape 3.7.2 software was used to screen the active ingredients with a degree ≥ 20 in Suanzaoren decoction (SZRD)
In Western medicine, PD with sleep disorder (PDSD) is believed to be associated with a variety of factors which may be related to the increase or decrease of serum vitamin D, melatonin, serum cystatin (Cys) C, homocysteine (Hcy), and dopamine levels in the striatum caused by PD itself [31,32,33,34]

Summary

Introduction

Parkinson’s disease (PD) is a common neurodegenerative disease in middle-aged and elderly individuals. Symptoms include classic motor symptoms—tremor, myotonia, bradykinesia, and postural imbalance—as well as nonmotor symptoms—sleep disorders, smell disorders, autonomic nervous dysfunction, and cognitive and mental disorders [1]. Sleep disorders (SD), the most common nonmotor symptoms of PD, seen in 60–90% of these patients, are one of the common nocturnal symptoms [2]. Treatment modalities of PD with sleep disorder (PDSD), used in clinical practice, include levodopa, dopamine receptor agonists, benzodiazepines, and melatonin [3,4,5]. Long-term use of such drugs may enhance restless leg syndrome, periodic limb movements, and rapid eye movement (REM) sleep Number A B C. Mol ID MOL000359 MOL000211 MOL000422 Molecule name OB% DL Drug Sitosterol.

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