Interaction of Carthamus tinctorius lignan arctigenin with the binding site of tryptophan-degrading enzyme indoleamine 2,3-dioxygenase

详细信息    查看全文

• 作者：Veronika Temml ; Susanne Kuehnl ; Daniela Schuster ; Stefan Schwaiger ; Hermann Stuppner ; Dietmar Fuchs
• 关键词：Lignan ; Carthamus tinctorius ; Indoleamine-2 ; 3-dioxygenase
• 刊名：FEBS Open Bio
• 出版年：2013
• 年：2013
• 卷：3
• 期：Complete
• 页码：450-452
• 全文大小：594 K

文摘

Mediterranean Carthamus tinctorius (Safflower) is used for treatment of inflammatory conditions and neuropsychiatric disorders. Recently C. tinctorius lignans arctigenin and trachelogenin but not matairesinol were described to interfere with the activity of tryptophan-degrading enzyme indoleamine 2,3-dioxygenase (IDO) in peripheral blood mononuclear cells in vitro. We examined a potential direct influence of compounds on IDO enzyme activity applying computational calculations based on 3D geometry of the compounds. The interaction pattern analysis and force field-based minimization was performed within LigandScout 3.03, the docking simulation with MOE 2011.10 using the X-ray crystal structure of IDO. Results confirm the possibility of an intense interaction of arctigenin and trachelogenin with the binding site of the enzyme, while matairesinol had no such effect.