Zi Tong Tey , Khye Er Loh , Siow-Ping Tan , Chongjun Yuan , Bimo Ario Tejo , Intan Safinar Ismail , Mohd Azlan bin Nafiah
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引用次数: 0
摘要
从 Chrysanthemum morifolium Ramat.干花的乙酸乙酯馏分中分离出了一种新的黄酮类化合物--2-(3',4'-二羟基苯基)-3,6,7,8-四甲氧基-4H-色烯-4-酮（3）。4′,5-二羟基-3,3′,7,8-四甲氧基-黄酮（1）和可可碱（5），以及两种已知的黄酮类化合物--麦饭石酚-7-O-葡萄糖苷（2）和木犀草素（4）也是首次从这种植物中分离出来。利用色谱和光谱技术（核磁共振、傅立叶变换红外光谱、紫外光谱和 HR-ESI-MS）对它们的结构进行了广泛的研究。在分子对接分析中，化合物 4 对 XO 的抑制作用最强，与 XO 的相互作用也最有利。通过分子动力学分析，化合物 2、3 和 4 与黄嘌呤氧化酶中具有重要催化作用的残基发生了稳定的相互作用。
Xanthine oxidase inhibitory activity by flavonoids from Chrysanthemum morifolium: in vitro and in silico insights
2-(3’,4’-dihydroxyphenyl)-3,6,7,8-tetramethoxy-4H-chromen-4-one (3), a new flavonoid was isolated from the ethyl acetate fraction of Chrysanthemum morifolium Ramat. dried flowers, while 4′,5-dihydroxy-3,3′,7,8-tetramethoxy-flavone (1) and casticine (5) were isolated from this plant for the first time, as well as two known flavonoids, eriodictyol-7-O-glucoside (2) and luteolin (4). Their structures were investigated over a broad spatial scale using chromatographic and spectroscopic techniques (NMR, FTIR, UV and HR-ESI-MS). Compound 4 showed the highest XO inhibition and the most favorable interaction with XO in molecular docking analysis. Compound 2, 3 and 4 demonstrated stable interactions with catalytically important residues in xanthine oxidase via molecular dynamic analysis.
期刊介绍：
Phytochemistry Letters invites rapid communications on all aspects of natural product research including:
• Structural elucidation of natural products
• Analytical evaluation of herbal medicines
• Clinical efficacy, safety and pharmacovigilance of herbal medicines
• Natural product biosynthesis
• Natural product synthesis and chemical modification
• Natural product metabolism
• Chemical ecology
• Biotechnology
• Bioassay-guided isolation
• Pharmacognosy
• Pharmacology of natural products
• Metabolomics
• Ethnobotany and traditional usage
• Genetics of natural products
Manuscripts that detail the isolation of just one new compound are not substantial enough to be sent out of review and are out of scope. Furthermore, where pharmacology has been performed on one new compound to increase the amount of novel data, the pharmacology must be substantial and/or related to the medicinal use of the producing organism.
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