Uncovering the Pharmacology of Xiaochaihu Decoction in the Treatment of Acute Pancreatitis Based on the Network Pharmacology

Background. Xiaochaihu decoction (XD) has demonstrated the pharmacodynamics on acute pancreatitis. This study was aimed at investigating the material and molecular basis of Xiaochaihu decoction. Methods. Firstly, compounds of seven herbs containing XD were collected from the TCMSP, ETCM, and BATMAN-...

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Veröffentlicht in:BioMed research international 2021, Vol.2021, p.6621682-11
Hauptverfasser: Zhan, Lianghui, Pu, Jinbao, Hu, Yijuan, Xu, Pan, Liang, Weiqing, Ji, Chunlian
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Pu, Jinbao
Hu, Yijuan
Xu, Pan
Liang, Weiqing
Ji, Chunlian
description Background. Xiaochaihu decoction (XD) has demonstrated the pharmacodynamics on acute pancreatitis. This study was aimed at investigating the material and molecular basis of Xiaochaihu decoction. Methods. Firstly, compounds of seven herbs containing XD were collected from the TCMSP, ETCM, and BATMAN-TCM databases, and the putative targets of pancreatitis were obtained from the OMIM, TTD, and GeneCards databases. Then, the PPI network was constructed according to the matching results between XD potential targets and pancreatic neoplasm targets. Furthermore, enrichment analysis on GO and KEGG by DAVID utilized bioinformatics resources. Finally, molecular docking was performed to simulate the interaction between the active compound of XD and putative targets. In an in vitro experiment, AR42J cells were induced by LPS and then treated with Quercetin (25, 50, and 100 μM) or XCHD. The IL-6, TNF-α, and IL-1β levels were detected by ELISA kit, MAPK3 and TP53 mRNA expressions were measured by qRT-PCR, and the proteins of MAPK3 and TP53 expressions were measured by WB. Results. A total of 196 active ingredients and 91 putative targets were selected. The PPI network analysis demonstrated that Quercetin was the candidate agent and MAPK3, IL-6, and TP53 were the potential targets for the XD treatment of acute pancreatitis. The KEGG analysis revealed that pathways in cancers, TNF signaling way, and MAPK signaling way might play an important role in pancreatitis therapy. And molecular docking results showed that Quercetin combined well with MAPK3, IL-6, and TP53. An in vitro experiment indicated that XCHD and Quercetin inhibited the IL-6, TNF-α, and IL-1β levels and MAPK3 and TP53. Conclusion. This study illustrated that XCHD and Quercetin contained in XD played an important role in the treatment of acute pancreatitis by acting on the key genes of MPAK3, IL-6, and TP53 which were associated with inflammation and apoptosis.
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Xiaochaihu decoction (XD) has demonstrated the pharmacodynamics on acute pancreatitis. This study was aimed at investigating the material and molecular basis of Xiaochaihu decoction. Methods. Firstly, compounds of seven herbs containing XD were collected from the TCMSP, ETCM, and BATMAN-TCM databases, and the putative targets of pancreatitis were obtained from the OMIM, TTD, and GeneCards databases. Then, the PPI network was constructed according to the matching results between XD potential targets and pancreatic neoplasm targets. Furthermore, enrichment analysis on GO and KEGG by DAVID utilized bioinformatics resources. Finally, molecular docking was performed to simulate the interaction between the active compound of XD and putative targets. In an in vitro experiment, AR42J cells were induced by LPS and then treated with Quercetin (25, 50, and 100 μM) or XCHD. The IL-6, TNF-α, and IL-1β levels were detected by ELISA kit, MAPK3 and TP53 mRNA expressions were measured by qRT-PCR, and the proteins of MAPK3 and TP53 expressions were measured by WB. Results. A total of 196 active ingredients and 91 putative targets were selected. The PPI network analysis demonstrated that Quercetin was the candidate agent and MAPK3, IL-6, and TP53 were the potential targets for the XD treatment of acute pancreatitis. The KEGG analysis revealed that pathways in cancers, TNF signaling way, and MAPK signaling way might play an important role in pancreatitis therapy. And molecular docking results showed that Quercetin combined well with MAPK3, IL-6, and TP53. An in vitro experiment indicated that XCHD and Quercetin inhibited the IL-6, TNF-α, and IL-1β levels and MAPK3 and TP53. Conclusion. This study illustrated that XCHD and Quercetin contained in XD played an important role in the treatment of acute pancreatitis by acting on the key genes of MPAK3, IL-6, and TP53 which were associated with inflammation and apoptosis.</description><identifier>ISSN: 2314-6133</identifier><identifier>EISSN: 2314-6141</identifier><identifier>DOI: 10.1155/2021/6621682</identifier><identifier>PMID: 33824873</identifier><language>eng</language><publisher>United States: Hindawi</publisher><subject>Analysis ; Anti-inflammatory drugs ; Apoptosis ; Bioinformatics ; Care and treatment ; Cell culture ; Chinese medicine ; Composition ; Computational Biology ; Cytokines ; Databases, Nucleic Acid ; Disease ; Dosage and administration ; Drugs, Chinese Herbal - chemistry ; Drugs, Chinese Herbal - pharmacology ; Experiments ; Humans ; Identification and classification ; IL-1β ; Inflammation ; Interleukin 6 ; Kinases ; Lipopolysaccharides ; MAP kinase ; Materia medica, Vegetable ; Medical research ; Medicine, Chinese ; Molecular docking ; Molecular Docking Simulation ; mRNA ; Multiple organ dysfunction syndrome ; Network analysis ; p53 Protein ; Pancreas ; Pancreatitis ; Pancreatitis - drug therapy ; Pancreatitis - metabolism ; Pancreatitis - pathology ; Pharmacodynamics ; Pharmacology ; Pharmacology, Experimental ; Plant extracts ; Properties ; Protein-protein interactions ; Proteins ; Quercetin ; Signal Transduction - drug effects ; Signaling ; Software ; Statistical analysis ; Tumor necrosis factor-TNF ; Tumor necrosis factor-α</subject><ispartof>BioMed research international, 2021, Vol.2021, p.6621682-11</ispartof><rights>Copyright © 2021 Lianghui Zhan et al.</rights><rights>COPYRIGHT 2021 John Wiley &amp; Sons, Inc.</rights><rights>Copyright © 2021 Lianghui Zhan et al. This is an open access article distributed under the Creative Commons Attribution License (the “License”), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. 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Xiaochaihu decoction (XD) has demonstrated the pharmacodynamics on acute pancreatitis. This study was aimed at investigating the material and molecular basis of Xiaochaihu decoction. Methods. Firstly, compounds of seven herbs containing XD were collected from the TCMSP, ETCM, and BATMAN-TCM databases, and the putative targets of pancreatitis were obtained from the OMIM, TTD, and GeneCards databases. Then, the PPI network was constructed according to the matching results between XD potential targets and pancreatic neoplasm targets. Furthermore, enrichment analysis on GO and KEGG by DAVID utilized bioinformatics resources. Finally, molecular docking was performed to simulate the interaction between the active compound of XD and putative targets. In an in vitro experiment, AR42J cells were induced by LPS and then treated with Quercetin (25, 50, and 100 μM) or XCHD. The IL-6, TNF-α, and IL-1β levels were detected by ELISA kit, MAPK3 and TP53 mRNA expressions were measured by qRT-PCR, and the proteins of MAPK3 and TP53 expressions were measured by WB. Results. A total of 196 active ingredients and 91 putative targets were selected. The PPI network analysis demonstrated that Quercetin was the candidate agent and MAPK3, IL-6, and TP53 were the potential targets for the XD treatment of acute pancreatitis. The KEGG analysis revealed that pathways in cancers, TNF signaling way, and MAPK signaling way might play an important role in pancreatitis therapy. And molecular docking results showed that Quercetin combined well with MAPK3, IL-6, and TP53. An in vitro experiment indicated that XCHD and Quercetin inhibited the IL-6, TNF-α, and IL-1β levels and MAPK3 and TP53. Conclusion. 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Pu, Jinbao ; Hu, Yijuan ; Xu, Pan ; Liang, Weiqing ; Ji, Chunlian</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c504t-a38ffa33f1e2be140151177f8b6a5d8067e91f8c72b7de7442a05f6acc6d76583</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Analysis</topic><topic>Anti-inflammatory drugs</topic><topic>Apoptosis</topic><topic>Bioinformatics</topic><topic>Care and treatment</topic><topic>Cell culture</topic><topic>Chinese medicine</topic><topic>Composition</topic><topic>Computational Biology</topic><topic>Cytokines</topic><topic>Databases, Nucleic Acid</topic><topic>Disease</topic><topic>Dosage and administration</topic><topic>Drugs, Chinese Herbal - chemistry</topic><topic>Drugs, Chinese Herbal - pharmacology</topic><topic>Experiments</topic><topic>Humans</topic><topic>Identification and classification</topic><topic>IL-1β</topic><topic>Inflammation</topic><topic>Interleukin 6</topic><topic>Kinases</topic><topic>Lipopolysaccharides</topic><topic>MAP kinase</topic><topic>Materia medica, Vegetable</topic><topic>Medical research</topic><topic>Medicine, Chinese</topic><topic>Molecular docking</topic><topic>Molecular Docking Simulation</topic><topic>mRNA</topic><topic>Multiple organ dysfunction syndrome</topic><topic>Network analysis</topic><topic>p53 Protein</topic><topic>Pancreas</topic><topic>Pancreatitis</topic><topic>Pancreatitis - drug therapy</topic><topic>Pancreatitis - metabolism</topic><topic>Pancreatitis - pathology</topic><topic>Pharmacodynamics</topic><topic>Pharmacology</topic><topic>Pharmacology, Experimental</topic><topic>Plant extracts</topic><topic>Properties</topic><topic>Protein-protein interactions</topic><topic>Proteins</topic><topic>Quercetin</topic><topic>Signal Transduction - drug effects</topic><topic>Signaling</topic><topic>Software</topic><topic>Statistical analysis</topic><topic>Tumor necrosis factor-TNF</topic><topic>Tumor necrosis factor-α</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhan, Lianghui</creatorcontrib><creatorcontrib>Pu, Jinbao</creatorcontrib><creatorcontrib>Hu, Yijuan</creatorcontrib><creatorcontrib>Xu, Pan</creatorcontrib><creatorcontrib>Liang, Weiqing</creatorcontrib><creatorcontrib>Ji, Chunlian</creatorcontrib><collection>Hindawi Publishing Complete</collection><collection>Hindawi Publishing Subscription Journals</collection><collection>Hindawi Publishing Open Access Journals</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Bacteriology Abstracts (Microbiology B)</collection><collection>Biotechnology Research Abstracts</collection><collection>Industrial and Applied Microbiology Abstracts (Microbiology A)</collection><collection>Neurosciences Abstracts</collection><collection>Toxicology Abstracts</collection><collection>Virology and AIDS Abstracts</collection><collection>Health &amp; 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Xiaochaihu decoction (XD) has demonstrated the pharmacodynamics on acute pancreatitis. This study was aimed at investigating the material and molecular basis of Xiaochaihu decoction. Methods. Firstly, compounds of seven herbs containing XD were collected from the TCMSP, ETCM, and BATMAN-TCM databases, and the putative targets of pancreatitis were obtained from the OMIM, TTD, and GeneCards databases. Then, the PPI network was constructed according to the matching results between XD potential targets and pancreatic neoplasm targets. Furthermore, enrichment analysis on GO and KEGG by DAVID utilized bioinformatics resources. Finally, molecular docking was performed to simulate the interaction between the active compound of XD and putative targets. In an in vitro experiment, AR42J cells were induced by LPS and then treated with Quercetin (25, 50, and 100 μM) or XCHD. The IL-6, TNF-α, and IL-1β levels were detected by ELISA kit, MAPK3 and TP53 mRNA expressions were measured by qRT-PCR, and the proteins of MAPK3 and TP53 expressions were measured by WB. Results. A total of 196 active ingredients and 91 putative targets were selected. The PPI network analysis demonstrated that Quercetin was the candidate agent and MAPK3, IL-6, and TP53 were the potential targets for the XD treatment of acute pancreatitis. The KEGG analysis revealed that pathways in cancers, TNF signaling way, and MAPK signaling way might play an important role in pancreatitis therapy. And molecular docking results showed that Quercetin combined well with MAPK3, IL-6, and TP53. An in vitro experiment indicated that XCHD and Quercetin inhibited the IL-6, TNF-α, and IL-1β levels and MAPK3 and TP53. Conclusion. This study illustrated that XCHD and Quercetin contained in XD played an important role in the treatment of acute pancreatitis by acting on the key genes of MPAK3, IL-6, and TP53 which were associated with inflammation and apoptosis.</abstract><cop>United States</cop><pub>Hindawi</pub><pmid>33824873</pmid><doi>10.1155/2021/6621682</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0002-8076-9922</orcidid><orcidid>https://orcid.org/0000-0002-7938-8444</orcidid><oa>free_for_read</oa></addata></record>
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subjects Analysis
Anti-inflammatory drugs
Apoptosis
Bioinformatics
Care and treatment
Cell culture
Chinese medicine
Composition
Computational Biology
Cytokines
Databases, Nucleic Acid
Disease
Dosage and administration
Drugs, Chinese Herbal - chemistry
Drugs, Chinese Herbal - pharmacology
Experiments
Humans
Identification and classification
IL-1β
Inflammation
Interleukin 6
Kinases
Lipopolysaccharides
MAP kinase
Materia medica, Vegetable
Medical research
Medicine, Chinese
Molecular docking
Molecular Docking Simulation
mRNA
Multiple organ dysfunction syndrome
Network analysis
p53 Protein
Pancreas
Pancreatitis
Pancreatitis - drug therapy
Pancreatitis - metabolism
Pancreatitis - pathology
Pharmacodynamics
Pharmacology
Pharmacology, Experimental
Plant extracts
Properties
Protein-protein interactions
Proteins
Quercetin
Signal Transduction - drug effects
Signaling
Software
Statistical analysis
Tumor necrosis factor-TNF
Tumor necrosis factor-α
title Uncovering the Pharmacology of Xiaochaihu Decoction in the Treatment of Acute Pancreatitis Based on the Network Pharmacology
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