Phong Nguyen Viet, Zhao Yan, Min Byung Sun, Yang Seo Young, Kim Jeong Ah
Vessel-Organ Interaction Research Center, VOICE (MRC), College of Pharmacy, Kyungpook National University, Daegu 41566, Korea.
BK21 FOUR Community-Based Intelligent Novel Drug Discovery Education Unit, College of Pharmacy and Research Institute of Pharmaceutical Sciences, Kyungpook National University, Daegu 41566, Korea.
Metabolites. 2022 Oct 2;12(10):938. doi: 10.3390/metabo12100938.
Phloroglucinols-one of the major secondary metabolites in -exhibit various pharmacological effects, such as antiviral, antioxidant, and antidiabetic activities. This study evaluated 30 phloroglucinols isolated from the rhizomes of for their inhibitory activity on -glucuronidase via in vitro assays. Among them, dimeric phloroglucinols - moderately inhibited -glucuronidase, and trimeric phloroglucinols - showed strong inhibitory effects, with IC values ranging from 5.6 to 8.0 μM. Enzyme kinetic analysis confirmed all six active compounds to be in a competitive mode of inhibition. Molecular docking simulations revealed the key binding interactions with the active site of -glucuronidase protein and the binding mechanisms of these active metabolites. Our results suggest that the rhizomes of and trimeric compounds - may serve as potential candidates for discovering and developing new -glucuronidase inhibitors.
间苯三酚类化合物——[植物名称]中的主要次生代谢产物之一——具有多种药理作用，如抗病毒、抗氧化和抗糖尿病活性。本研究通过体外试验评估了从[植物名称]根茎中分离出的30种间苯三酚类化合物对β-葡萄糖醛酸酶的抑制活性。其中，二聚体间苯三酚类化合物适度抑制β-葡萄糖醛酸酶，三聚体间苯三酚类化合物表现出强烈的抑制作用，IC50值范围为5.6至8.0μM。酶动力学分析证实所有六种活性化合物均为竞争性抑制模式。分子对接模拟揭示了与β-葡萄糖醛酸酶蛋白活性位点的关键结合相互作用以及这些活性代谢物的结合机制。我们的结果表明，[植物名称]的根茎和三聚体化合物——可能作为发现和开发新型β-葡萄糖醛酸酶抑制剂的潜在候选物。
