The qualitative and quantitative analysis of Ganoderma lucidum spore powder chemical compounds as p38 MAPK inhibitors by the generation and verification of pharmacophore modelling

• DOI: 10.1016/j.lwt.2024.115817
• Publication Date: 2024-02-02T10:38:50Z
• Authors: Jing Zhang; Xinge Cui; Wenhui Luo; Siyu Li; Shujuan Beng; Wen Wang; Daiyin Peng; Can Peng
• Keywords: Qualitative analysis

Ganoderma lucidum spore powder (GLSP), a high-value health food and medicine, has attracted widespread attention for its biological components abundant pharmacological activities. However, the chemical component classification, fragmentation patterns, fatty acid quantification activities of GLSP against p38 MAPK have not been clearly articulated. In present study, total 142 compounds were identified in by UPLC-Orbitrap-HRMS, including 55 lipids (3 glycerides, 21 phospholipids, 4 glycolipids, 5 sterols, 22 acids), 25 triterpenes, 10 alkaloids, 27 organic acids, others. The characteristic patterns 12 representative summarized. As major compounds, GC-FID quantified 6 unsaturated acids 8 saturated sinense with little difference. Then, 7 potential inhibitors virtually screened out based on pharmacophore modelling molecular docking. Finally, Ganoderic C6, D, G, AM1, Ganoderenic F, Methyl lucidenate E2 samples, selected triterpenoids evaluated verified as after western blotting HepG2 cells, which could provide theoretical basis new therapeutic opportunities targeting signaling few side effects.