The unfolded features on the synchronized fashion of gut microbiota and Drynaria rhizome against obesity via integrated pharmacology

• Published in: Food chemistry 2024-12, Vol.460 (Pt 2), p.140616, Article 140616
• Main Authors: Oh, Ki-Kwang, Yoon, Sang-Jun, Song, Seol Hee, Park, Jeong Ha, Kim, Jeong Su, Kim, Min Ju, Kim, Dong Joon, Suk, Ki-Tae
• Format: Article
• Language: English
• Subjects: Bacteria - chemistry; Bacteria - drug effects; Bacteria - metabolism; Drynaria rhizome; Gastrointestinal Microbiome - drug effects; Gut microbiota; Humans; Molecular Docking Simulation; Obesity; Obesity - drug therapy; Obesity - metabolism; Obesity - microbiology; Obesity - physiopathology; Plant Extracts - chemistry; Plant Extracts - pharmacology; Polypodiaceae - chemistry; PPAR signaling pathway; Rhizome - chemistry
• ISSN: 0308-8146; 1873-7072; 1873-7072
• DOI: 10.1016/j.foodchem.2024.140616

Drynaria rhizome (DR) is used as a natural remedy to ameliorate obesity (OB) in East Asia; in parallel, the gut microbiota (GM) might exert a positive impact on OB through their metabolites. This study elucidates the orchestrated effects of DR and GM on OB. DR–GM, − a key signaling pathway–target–metabolite (DGSTM) networks were used to unveil the relationship between DR and GM, and Molecular Docking Test (MDT) and Density Functional Theory (DFT) were adopted to underpin the uppermost molecules. The NR1H3 (target) − 3-Epicycloeucalenol (ligand), and PPARG (target) − Clionasterol (ligand) conjugates from DR, FABP3 (target) − Ursodeoxycholic acid, FABP4 (target) − Lithocholic acid (ligand) or Deoxycholic acid (ligand), PPARA (target) − Equol (ligand), and PPARD (target) − 2,3-Bis(3,4-dihydroxybenzyl)butyrolactone (ligand) conjugates from GM formed the most stable conformers via MDT and DFT. Overall, these findings suggest that DR-GM might be a promising ameliorator on PPAR signaling pathway against OB. •GM (4 molecules) and DR (2 molecules) exert combinational effects against obesity.•The 6 targets are significant protein-coding genes to alleviate obesity.•DR and GM effectors are agonists on the PPAR signaling pathway in treating obesity.