A new quinolone and acetylcholinesterase inhibitors from a sponge-associated fungus Penicillium sp. SCSIO41033.
Fuquan XuWeihao ChenYuxiu YeXin QiKai ZhaoJieyi LongXiaoyan PangYong-Hong LiuJun-Feng WangPublished in: Natural product research (2022)
The chemical investigation of the EtOAc extract from the solid rice medium cultured with a sponge-associated fungus Penicillium sp. SCSIO41033 led to the isolation of two quinolones including a new one, penicinolone ( 1 ), three xanthone derivatives ( 3-5 ), and four anthraquinones ( 6-9 ). Their structures were determined by comprehensive analysis of 1 H and 13 C NMR, COSY, HSQC, and HMBC spectroscopic, and HRESIMS mass spectrometric data. The bioactive assays revealed that compounds 1 and 2 showed no antimicrobial activities against five bacteria and eight fungi, and compounds 5 , 8 and 9 exhibited inhibition against AChE with IC 50 values of 45.9, 42.5 and 40.5 μg/mL. Molecular docking analysis was performed to explore the interactions between active molecules and AChE protein, which indicated that xanthone and anthraquinone derivatives had the potential for developing AChE inhibitors.
Keyphrases
- molecular docking
- molecular dynamics simulations
- high resolution
- staphylococcus aureus
- magnetic resonance
- oxidative stress
- electronic health record
- endothelial cells
- structure activity relationship
- single cell
- big data
- binding protein
- machine learning
- amino acid
- anti inflammatory
- data analysis
- climate change
- small molecule