Phytochemicals with NO inhibitory effects and interactions with iNOS protein from Trigonostemon howii |
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| Affiliation: | 1. Department of Phytochemistry, School of Pharmacy, Second Military Medical University, Shanghai 200433, PR China;2. Shanghai Institute of Pharmaceutical Industry, Shanghai 200433, PR China;3. State Key Laboratory of Innovative Natural Medicine and TCM Injections, PR China;1. State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650201, China;2. Department of Pharmacology, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China;3. Department of Dermatology, The First Affiliated Hospital of Kunming Medical University, Kunming 650032, China;4. Research Institute of Resource Insects, Chinese Academy of Forestry, Kunming 650224, China;5. Yunnan Key Laboratory of Natural Medicinal Chemistry, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650201, China;1. State Key Laboratory of Phytochemistry and Plant Resources in West China, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650201, PR China;2. University of Chinese Academy of Sciences, Beijing 100049, PR China;3. Yunnan Key Laboratory of Natural Medicinal Chemistry, Kunming Institute of Botany, Chinese Academy of Sciences, Kunming 650201, PR China;4. Chemistry and Chemical Engineering college, Chongqing University, Chongqing 400030, PR China;5. Faculty of Life Science and Technology, Kunming University of Technology and Science, Kunming 650504, PR China |
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| Abstract: | 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. |
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| Keywords: | NO inhibitory activities Cleistanthane diterpenoid Molecular docking iNOS TDDFT ECD calculations |
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