New Antibacterial Diterpenoids from the South China Sea Soft Coral Klyxum molle .
Jia-Dong YuDan-Dan YuMing-Zhi SuYu-Cheng GuHong WangYue-Wei GuoPublished in: Marine drugs (2023)
Fifteen new diterpenoids, namely xishaklyanes A-O ( 1 - 15 ), along with three known related ones ( 16 - 18 ), were isolated from the soft coral Klyxum molle collected from Xisha Islands, South China Sea. The stereochemistry of the new compounds was elucidated by a combination of detailed spectroscopic analyses, chemical derivatization, quantum chemical calculations, and comparison with the reported data. The absolute configuration of compound 18 was established by the modified Mosher's method for the first time. In bioassay, some of these compounds exhibited considerable antibacterial activities on fish pathogenic bacteria, and compound 4 showed the most effective activity with MIC of 0.225 μg/mL against Lactococcus garvieae .
Keyphrases
- molecular dynamics
- silver nanoparticles
- molecular docking
- ms ms
- density functional theory
- electronic health record
- molecular dynamics simulations
- monte carlo
- anti inflammatory
- liquid chromatography tandem mass spectrometry
- essential oil
- high performance liquid chromatography
- gas chromatography mass spectrometry
- big data
- simultaneous determination
- wound healing
- solid phase extraction
- deep learning
- energy transfer