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Based on Network Pharmacology and Molecular Docking, the Active Components, Targets, and Mechanisms of Flemingia philippinensis in Improving Inflammation Were Excavated.
Zhang, Dongying; Zhou, Qixing; Zhang, Zhen; Yang, Xiangxuan; Man, Jiaxu; Wang, Dongxue; Li, Xiaoyong.
Affiliation
  • Zhang D; College of Science, Yunnan Agricultural University, Kunming 650201, China.
  • Zhou Q; College of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, China.
  • Zhang Z; College of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, China.
  • Yang X; College of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, China.
  • Man J; Institute of Agricultural Products Processing, Yunnan Academy of Agricultural Sciences, Kunming 650201, China.
  • Wang D; College of Food Science and Technology, Yunnan Agricultural University, Kunming 650201, China.
  • Li X; College of Food and Biological Engineering, Hezhou University, Hezhou 542899, China.
Nutrients ; 16(12)2024 Jun 13.
Article in En | MEDLINE | ID: mdl-38931205
ABSTRACT
Flemingia philippinensis, a polyphenol-rich plant, holds potential for improving inflammation, but its mechanisms are not well understood. Therefore, this study employed network pharmacology and molecular docking to explore the mechanism by which Flemingia philippinensis ameliorates inflammation. In this study, 29 kinds of active ingredients were obtained via data mining. Five main active components were screened out for improving inflammation, which were flemichin D, naringenin, chrysophanol, genistein and orobol. In total, 52 core targets were identified, including AKT serine/threonine kinase 1 (AKT1), tumor necrosis factor (TNF), B-cell lymphoma-2 (BCL2), serum albumin (ALB), and estrogen receptor 1 (ESR1). Gene ontology (GO) enrichment analysis identified 2331 entries related to biological processes, 98 entries associated with cellular components, and 203 entries linked to molecular functions. Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analysis yielded 149 pathways, including those involved in EGFR tyrosine kinase inhibitor resistance, endocrine resistance, and the PI3K-Akt signaling pathway. Molecular docking results showed strong binding effects between the main active components and the core targets, with binding energies less than -5 kcal/mol. In summary, this study preliminarily elucidated the underlying mechanisms by which Flemingia philippinensis, through a multi-component, multi-target, and multi-pathway approach, ameliorates inflammation. This provides a theoretical foundation for the subsequent application of Flemingia philippinensis in inflammation amelioration.
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Molecular Docking Simulation / Network Pharmacology / Inflammation Limits: Humans Language: En Journal: Nutrients Year: 2024 Document type: Article Affiliation country: Country of publication:

Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Molecular Docking Simulation / Network Pharmacology / Inflammation Limits: Humans Language: En Journal: Nutrients Year: 2024 Document type: Article Affiliation country: Country of publication: