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Identifying the Mechanism of Polygoni Cuspidati Rhizoma et Radix in Treating Acute Liver Failure Based on Network Pharmacology and Molecular Docking.
Hong, Jing; Ding, Jie; Hong, Han-Han; Xu, Xiao-Wan; Pan, Bo; Ruan, Yi; Zhai, Xiao-Feng.
Afiliação
  • Hong J; Department of Integrative Oncology, Changhai Hospital, Naval Medical University, Shanghai 200433, China.
  • Ding J; School of Traditional Chinese Medicine, Naval Medical University, Shanghai 200433, China.
  • Hong HH; School of Traditional Chinese Medicine, Naval Medical University, Shanghai 200433, China.
  • Xu XW; Gynecology of Traditional Chinese Medicine, Changhai Hospital, Naval Medical University, Shanghai 200433, China.
  • Pan B; Department of Nursing, Chengjiaqiao Community Health Service Center of Changning District, Shanghai 201103, China.
  • Ruan Y; Department of Integrative Oncology, Changhai Hospital, Naval Medical University, Shanghai 200433, China.
  • Zhai XF; Department of Integrative Oncology, Changhai Hospital, Naval Medical University, Shanghai 200433, China.
Gastroenterol Res Pract ; 2022: 2021066, 2022.
Article em En | MEDLINE | ID: mdl-35432526
Materials and Methods: The potential bioactive compounds of PCRR and their targets were collected from TCMSP, TCMID, and BATMAN-TCM databases with absorption, distribution, metabolism, and excretion protocols (oral bioavailability ≥30% and drug-likeness ≥0.18). The ALF-related target genes were identified using the GeneCards and OMIM databases. A protein-protein interaction (PPI) network among these targets was constructed using the Cytoscape software to obtain the core targets. The genes associated with ALF were analyzed via Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses to identify the signaling pathways related to the therapeutic effect of PCRR in ALF. Results: In total, 10 bioactive compounds of PCRR and 200 targets related to them were obtained, and 2913 ALF-related target genes were identified. PPI network analysis pinpointed 15 core targets, namely, TP53, AKT1, JUN, HSP90AA1, MAPK1, RELA, TNF, ESR1, IL6, MYC, MAPK14, FOS, RB1, CDKN1A, and EGFR. GO enrichment and KEGG pathway analyses revealed that the therapeutic mechanisms of PCRR in ALF are related to cell metabolism, oxidative stress, inflammation, and hepatocyte apoptosis. Conclusion: This is the first study to explore the therapeutic mechanisms of PCRR in ALF via network pharmacology and molecular docking. This study provides a research platform with candidate ALF-related targets of PRCC for the development of therapeutics against ALF.

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Guideline Idioma: En Ano de publicação: 2022 Tipo de documento: Article

Texto completo: 1 Base de dados: MEDLINE Tipo de estudo: Guideline Idioma: En Ano de publicação: 2022 Tipo de documento: Article