Clerodane diterpenoids from Scutellaria formosana with inhibitory effects on NO production and interactions with iNOS protein.
A phytochemical study on Scutellaria formosana afforded five previously undescribed spiro-diterpenoids, scutellapenes A-E. The structures were elucidated on the basis of extensive 1D and 2D NMR spectroscopic data analysis, and the absolute configurations of these compounds were established by the time-dependent density functional theory (TDDFT) electronic circular dichroism (ECD) calculations. Scutellapenes B-E possess a spiro-diterpenoid skeleton. All of the compounds showed inhibitory effects on LPS-induced nitric oxide (NO) production in murine microglial BV-2 cells. The further molecular docking studies revealed that these bioactive compounds had strong interactions with the iNOS protein.
['Wang|Peixia|P|', 'Liu|Feng|F|', 'Yang|Xueyuan|X|', 'Liang|Yue|Y|', 'Li|Shen|S|', 'Su|Guochen|G|', 'Jin|Da-Qing|DQ|', 'Ohizumi|Yasushi|Y|', 'Xu|Jing|J|', 'Guo|Yuanqiang|Y|']
D000818:Animals D002478:Cells, Cultured D045785:Diterpenes, Clerodane D004305:Dose-Response Relationship, Drug D051379:Mice D008968:Molecular Conformation D062105:Molecular Docking Simulation D009569:Nitric Oxide D052247:Nitric Oxide Synthase Type II D031363:Scutellaria D013329:Structure-Activity Relationship
Scutellaria formosana iNOS Spiro-diterpenoids Molecular docking Labiatae NO inhibitors