4.7 Article

Gastroprotection against Rat Ulcers by Nephthea Sterol Derivative

期刊

BIOMOLECULES
卷 11, 期 8, 页码 -

出版社

MDPI
DOI: 10.3390/biom11081247

关键词

Nephthea species; soft corals; anti-ulcer activity; molecular docking; reactome analysis

资金

  1. Deanship of Scientific Research at King Khalid University [R.G.P.1/43/42]
  2. Science and Technology Development Fund, STDF, Egypt [5480, 7972]
  3. Alexander von Humboldt Foundation, via the Georg Foster Research Fellowship for Experienced Researchers

向作者/读者索取更多资源

This study investigated the anti-ulcer activity of ST-1 isolated from Nephthea species using in vivo experiments and molecular docking techniques, showing significant anti-ulcer effects and potential modulation of the PI3K signaling pathway.
Different species belonging to the genus Nephthea (Acyonaceae) are a rich resource for bioactive secondary metabolites. The literature reveals that the gastroprotective effects of marine secondary metabolites have not been comprehensively studied in vivo. Hence, the present investigation aimed to examine and determine the anti-ulcer activity of 4 alpha,24-dimethyl-5 alpha-cholest-8 beta,18-dihydroxy,22E-en-3 beta-ol (ST-1) isolated from samples of a Nephthea species. This in vivo study was supported by in silico molecular docking and protein-protein interaction techniques. Oral administration of ST-1 reduced rat stomach ulcers with a concurrent increase in gastric mucosa. Molecular docking calculations against the H+/K+-ATPase transporter showed a higher binding affinity of ST 1, with a docking score value of -9.9 kcal/mol and a pK(i) value of 59.7 nM, compared to ranitidine (a commercial proton pump inhibitor, which gave values of -6.2 kcal/mol and 27.9 mu M, respectively). The combined PEA-reactome analysis results revealed promising evidence of ST 1 potency as an anti-ulcer compound through significant modulation of the gene set controlling the PI3K signaling pathway, which subsequently plays a crucial role in signaling regarding epithelialization and tissue regeneration, tissue repairing and tissue remodeling. These results indicate a probable protective role for ST-1 against ethanol-induced gastric ulcers.

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