Phytochemicals with NO inhibitory effects and interactions with iNOS protein from Trigonostemon howii

Jun Ma, Xueyuan Yang, Peixia Wang, Bangjian Dong, Guochen Su, Muhetaer Tuerhong, Da Qing Jin, Jing Xu, Dongho Lee, Yasushi Ohizumi, Jianping Lin, Yuanqiang Guo

Research output: Contribution to journalArticlepeer-review

19 Citations (Scopus)


A phytochemical investigation to obtain new NO inhibitors led to the isolation of nine compounds including one new guaiane-type sesquiterpenoid (1) and two new cleistanthane diterpenoids (2 and 3) from the stems of Trigonostemon howii. Their structures were elucidated on the basis of extensive 1D and 2D NMR spectroscopic data analysis, and the absolute configurations of new compounds 1–3 were established via comparison of experimental and calculated electronic circular dichroism (ECD) spectra. Compounds 2 and 3 possess a rare 3,4-seco-cleistanthane diterpenoid skeleton. All of the compounds showed inhibitory effects on lipopolysaccharide-induced NO production in murine microglial BV-2 cells. The further molecular docking studies indicated the strong interactions between some bioactive compounds with the iNOS protein, which revealed the possible and potential mechanism of NO inhibition of bioactive compounds.

Original languageEnglish
Pages (from-to)71-77
Number of pages7
JournalBioorganic Chemistry
Publication statusPublished - 2017 Dec


  • Cleistanthane diterpenoid
  • Molecular docking
  • NO inhibitory activities
  • TDDFT ECD calculations
  • Trigonostemon howii
  • iNOS

ASJC Scopus subject areas

  • Biochemistry
  • Molecular Biology
  • Drug Discovery
  • Organic Chemistry


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