Nine New Antibacterial Diterpenes and Steroids from the South China Sea Soft Coral Lobophytum catalai Tixier-Durivault.
Sheng-Hui ZhuYuan-Min ChangMing-Zhi SuLi-Gong YaoSong-Wei LiHong WangYue-Wei GuoPublished in: Marine drugs (2024)
Five new cembrane-type diterpenes, lobocalines A-E ( 1 - 5 ), and four new steroids, lobocaloids A-D ( 9 - 12 ), along with six known related compounds ( 6 - 8 and 13 - 15 ) were isolated from the Yalong Bay soft coral Lobophytum catalai Tixier-Durivault. The structures of the new compounds were elucidated by extensive spectroscopic analysis, NMR calculation with DP4+ analysis, time-dependent density functional theory-electronic circular dichroism (TDDFT-ECD) calculations, X-ray diffraction analyses and comparison with the reported spectroscopic data of known compounds. Further, with the aid of X-ray diffraction analysis, the structure of lobocrasol B ( 15 ) was firmly revised as 15a . In in vitro bioassays, compound 2 showed moderate antibacterial activities against fish pathogenic bacteria Streptococcus parauberis KSP28 and Phoyobacterium damselae FP2244 with minimum inhibitory concentration (MIC) values of 8.7 and 17.3 µg/mL, respectively. All the steroids exhibited antibacterial activities against the S. parauberis KSP28 with MIC values ranging from 12.3 to 53.6 µg/mL. Compounds 2 , 7 and 14 have remarkable inhibitory effects on the hemolysin production of Staphylococcus aureus , while compounds 8 - 12 have medium inhibitory effects on the pyocyanin production in Pseudomonas aeruginosa .
Keyphrases
- density functional theory
- pseudomonas aeruginosa
- high resolution
- staphylococcus aureus
- molecular dynamics
- molecular docking
- magnetic resonance
- computed tomography
- magnetic resonance imaging
- machine learning
- silver nanoparticles
- big data
- molecular dynamics simulations
- electron microscopy
- dual energy
- psychometric properties