Fan Min-Xia, Chen Gui-Lin, Guo Ming-Quan
Key Laboratory of Plant Germplasm Enhancement and Specialty Agriculture, Wuhan Botanical Garden, Chinese Academy of Sciences, Wuhan 430074, China.
Sino-Africa Joint Research Center, Chinese Academy of Sciences, Wuhan 430074, China.
Antioxidants (Basel). 2022 Mar 29;11(4):658. doi: 10.3390/antiox11040658.
() has been widely used due to its diverse pharmacological activities. However, there are currently few studies on its responsible antioxidant ingredients against superoxide dismutase (SOD) and xanthine oxidase (XOD). In this study, the antioxidant activities of were evaluated by a 2,2'-azinobis-(3-ethyl-benzthiazoline)-6-sulfonic acid) and ferric-ion-reducing antioxidant power method. Meanwhile, total polyphenol and flavonoid content were determined to reveal that they were the highest in ethyl acetate (EA) fraction. Next, compounds with the most antioxidant activity were screened out from EA fraction by bio-affinity ultrafiltration liquid chromatography-mass spectrometry (UF-LC-MS) with SOD and XOD. As a result, gallic acid, protocatechuic acid and (-)-epicatechin were identified as potential SOD ligands with relative binding affinity (RBA) values of 2.15, 1.78 and 1.61, respectively. Additionally, these three ligands could effectively interact with SOD in molecular docking with binding energies (BEs) ranging from -3.84 ± 0.37 to -5.04 ± 0.01 kcal/mol. In addition, carnosic acid exhibited a strong binding affinity to XOD with an RBA value of 2.05 and BE value of -8.24 ± 0.71 kcal/mol. In conclusion, these results indicated that might have good antioxidant activity and antigout potential, and the UF-LC-MS method is suitable and efficient for screening both SOD and XOD ligands from .
（）因其多样的药理活性而被广泛使用。然而，目前关于其针对超氧化物歧化酶（SOD）和黄嘌呤氧化酶（XOD）的抗氧化成分的研究较少。在本研究中，通过2,2'-联氮双（3-乙基苯并噻唑啉-6-磺酸）和铁离子还原抗氧化能力法评估了（）的抗氧化活性。同时，测定了总多酚和黄酮含量，发现它们在乙酸乙酯（EA）馏分中含量最高。接下来，通过生物亲和超滤液相色谱-质谱联用（UF-LC-MS）结合SOD和XOD从EA馏分中筛选出具有最强抗氧化活性的化合物。结果，没食子酸、原儿茶酸和（-）-表儿茶素被鉴定为潜在的SOD配体，相对结合亲和力（RBA）值分别为2.15、1.78和1.61。此外，这三种配体在分子对接中能与SOD有效相互作用，结合能（BE）范围为-3.84±0.37至-5.04±0.01千卡/摩尔。此外，肌醇六磷酸对XOD表现出较强的结合亲和力，RBA值为2.05，BE值为-8.24±0.71千卡/摩尔。总之，这些结果表明（）可能具有良好的抗氧化活性和抗痛风潜力，并且UF-LC-MS方法适用于从（）中筛选SOD和XOD配体，且效率较高。
