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Research Article|Open Access
Identification and mechanism elucidation of medicative diet for food therapy XQCSY in NAFLD prevention: an integrative in silico study
Chen-Xi Ren1, Ming-Yuan Gao1, Ning Li1, Chao Tang1, Gang-Hui Chu2, Abdulla Yusuf2, Li-Xia Xiao1, Zhen-Quan Yang1, Tian-Zhu Guan1,2()
School of Food Science and Engineering, Yangzhou University, Yangzhou 225127, China
College of Chemistry and Environmental Science, Laboratory of Xinjiang Native Medicinal and Edible Plant Resources Chemistry, Kashi University, Kashi 844000, China
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Highlights
(1) Network pharmacology and molecular docking were performed to study the role of XingQiChuShiYin (XQCSY) in preventing non-alcoholic fatty liver disease (NAFLD).
(2) The compound-target-disease network screened out six potential hub targets based on the cluster screening, GO, and KEGG analysis.
(3) Observations of the targets-active ingredients docking behavior and affinity indicate that XQCSY is well affinitive to the potential hub genes and thus greatly affects NAFLD prevention.
(4) This work may present a theoretical proof to deeply clarify the main bioactive constituents and mechanisms of XQCSY and its multi-component, multi-target and multi-pathway properties in NAFLD prevention.
Graphical Abstract
With remarkable efficacy and small side effects, Conventional Chinese medicine dietary therapy is an ideal treatment for various diseases. As a conventional Chinese medicine dietary therapy, the effective constituents and functional mechanisms of XingQiChuShiYin (XQCSY) in preventing non-alcoholic fatty liver disease (NAFLD) are yet vague. Network pharmacology and molecular docking reveal that XQCSY plays a pivotal role in preventing NAFLD with a “multicomponent-multitarget-multichannel” mechanism. Molecular docking also confirms active ingredients from XQCSY are well affinitive to the key genes and thus greatly affect NAFLD prevention. In conclusion, this research may provide a vital theoretical basis for determining the prevention mechanism of XQCSY on NAFLD.
Abstract
XingQiChuShiYin (XQCSY), a conventional Chinese medicine dietary therapy, is effective in preventing non-alcoholic fatty liver disease (NAFLD), but its effective constituents and functional mechanisms are yet vague for the reason conventional modes are not suitable. Therefore, this study is centered on exploring the NAFLD prevention mechanisms of XQCSY via an in-silico method. The potential targets of XQCSY and NAFLD are obtained from public databases, and there are 81 intersected targets. Then six key targets including RAC-alpha serine/threonine-protein kinase, tumor necrosis factor, interleukin-6, interleukin-1 beta, cellular tumor antigen p53, and epidermal growth factor receptor are screened from the “herb-compound-common target” network. Subsequently, Gene Ontology and Kyoto Encyclopedia of Genes and Genomes enrichment analysis reveals that 513 of biological processes, 51 of cellular components, and 90 of molecular functions in XQCSY are related to the treatment of NAFLD. Results from network pharmacology show that XQCSY plays a pivotal role in preventing NAFLD with a “multicomponent-multitarget-multichannel” mechanism. Molecular docking also confirms active ingredients from XQCSY are well affinitive to the key genes and thus greatly affect NAFLD prevention. In conclusion, this research may provide a vital theoretical basis for determining the prevention mechanism of XQCSY on NAFLD.
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