• Jing Xie, Chen-Hui Zhang, Jin-Xiang Zeng, Xiong-Xiong Xie, Min Li, Jian Liang, Ji-Xiao Zhu, Guo-Yue Zhong, Guang-Ming Luo, Peng-Cheng Yao, and Ya-Qi Gui.
• Research Center of Chinese Herbal Medicine and Ethnic Medicine, Jiangxi University of Traditional Chinese Medicine， Nanchang 330004， China.
• Zhongguo Zhong Yao Za Zhi. 2018 Sep 1; 43 (17): 3595-3603.

AbstractPotential xanthine oxidase (XOD) inhibitors in Lagotis brevituba were captured by using affinity and ultrafiltration. The structures of the captured components were identified by ultra-performance liquid chromatography coupled with Q-TOF mass spectrometry (UPLC-Q-TOF-MS). The binding intensity and binding mechanism between the captured components and XOD were analyzed by using molecular docking software Autodock 4.2. A total of 17 compounds were identified, including 9 flavonoids, 5 phenolic acids and 3 triterpenes. Molecular docking results showed that all the captured components could be spontaneously bound with XOD mainly via hydrogen bond, Van der Waals' force and hydrophobic interaction. From the perspective of binding energy and scoring function, the collected fractions all had potential prospects for XOD inhibitors, and the flavonoid luteolin-3',7 glucuronide had the best effect. The results also showed that affinity and ultrafiltration, ultra-performance liquid chromatography-mass spectrometry (UPLC-MS) and molecular docking technology can provide a powerful tool for the analysis of XOD inhibitor components in natural products.Copyright© by the Chinese Pharmaceutical Association.

18 keywords...

hide…