Anti-Inflammatory Sesquiterpenes from Fruiting Bodies of Schizophyllum commune .
Tao ChenYufeng LiuBuping MaBing SunYahong PanYanghui OuHuijuan YuZhigang SheYuhua LongPublished in: Journal of agricultural and food chemistry (2024)
Schizophyllum commune , a fleshy fungus, is an important medicinal and food-homologous mushroom in China. In this work, eight undescribed sesquiterpenes schizomycins A-H ( 1 - 8 ) and one new meroterpenoid schizomycin I ( 9 ) together with three known analogues ( 10 - 12 ) were isolated from fruiting bodies of S. commune . Their planar structures were established by extensive spectroscopic and mass spectrometric data. The absolute configurations of compounds 1 , 2 , and 4 were determined by single crystal X-ray diffraction, and compounds 3 and 5 - 9 were confirmed by electronic circular dichroism calculations. Anti-inflammatory activities of all isolated compounds were evaluated for their inhibitory effects on IL-6 and IL-1β production in RAW 264.7 cells. Among them, compound 7 exhibited significant IL-6 inhibitory activity with an IC 50 value of 3.6 μM. The results of molecular docking showed that compound 7 interacts with amino acid residues (Gly117, Lys118, Asp120, Thr166, and Try168) of the IL-6 receptor protein through hydrogen bonding.
Keyphrases
- molecular docking
- anti inflammatory
- molecular dynamics simulations
- amino acid
- high resolution
- induced apoptosis
- binding protein
- dna damage
- molecular dynamics
- dna repair
- computed tomography
- machine learning
- density functional theory
- cell death
- electronic health record
- magnetic resonance
- big data
- oxidative stress
- endoplasmic reticulum stress
- risk assessment
- deep learning
- electron microscopy