康普茶主要代谢产物的抗肥胖潜力:非靶向代谢组学分析与分子对接模拟
Antiobesity potential of major metabolites from kombucha: Untargeted metabolomic profiling and molecular docking simulations.
作者信息
Hardinsyah Hardinsyah, Gunawan William Ben, Nurkolis Fahrul, Alisaputra Darmawan, Kurniawan Rudy, Mayulu Nelly, Taslim Nurpudji Astuti, Tallei Trina Ekawati
机构信息
Applied Nutrition Division, Community Nutrition Department, Faculty of Human Ecology, IPB University, Bogor, Indonesia.
Alumnus of Department of Nutrition Science, Faculty of Medicine, Diponegoro University, Semarang, Indonesia.
出版信息
Curr Res Food Sci. 2023 Feb 18;6:100464. doi: 10.1016/j.crfs.2023.100464. eCollection 2023.
The prevalence of obesity is rapidly increasing and poses serious health risks accompanied by a decrease in life expectancy and quality of life. Therefore, the therapeutic potential of natural-derived nutraceuticals against obesity and its comorbidities needs to be explored. Molecular inhibition of lipase enzymes and fat mass and obesity-associated (FTO) protein has attracted some recent interest in efforts to find antiobesity agents. This study aims to innovate a fermented drink from kombucha (CTK), find out their metabolites profile, and determine the antiobesity potential through a molecular docking study. The CTK formulation refers to previous research while the metabolites profile was determined using HPLC-ESI-HRMS/MS. Major compounds were selected based on best match value > 99.0% of the M/Z cloud database. A total of 79 compounds were identified in CTK, and 13 ideal compounds were selected to be simulated in the molecular docking study against human pancreatic lipase, α-amylase, α-glucosidase, porcine pancreatic lipase, and FTO proteins. The study found that Kaempferol, Quercetin-3β-D-glucoside, Quercetin, Dibenzylamine, and α-Pyrrolidinopropiophenone showed the best potential as functional antiobesity compounds since their affinity value ranked high in each respective receptor. In conclusion, the major compounds of CTK metabolites have the potential to be promising functional foods against obesity. However, further and studies should validate these health benefits.
肥胖症的患病率正在迅速上升,并带来严重的健康风险,同时还伴随着预期寿命和生活质量的下降。因此,需要探索天然来源的营养保健品对肥胖症及其合并症的治疗潜力。脂肪酶和脂肪量与肥胖相关(FTO)蛋白的分子抑制作用最近在寻找抗肥胖药物的研究中引起了一些关注。本研究旨在创新一种由康普茶制成的发酵饮料(CTK),找出其代谢产物谱,并通过分子对接研究确定其抗肥胖潜力。CTK配方参考了先前的研究,而代谢产物谱则使用HPLC-ESI-HRMS/MS进行测定。主要化合物是根据与M/Z云数据库的最佳匹配值>99.0%来选择的。在CTK中总共鉴定出79种化合物,并选择了13种理想化合物在分子对接研究中针对人胰脂肪酶、α-淀粉酶、α-葡萄糖苷酶、猪胰脂肪酶和FTO蛋白进行模拟。研究发现,山奈酚、槲皮素-3β-D-葡萄糖苷、槲皮素、二苄胺和α-吡咯烷丙苯酮作为功能性抗肥胖化合物显示出最佳潜力,因为它们在各自受体中的亲和力值排名很高。总之,CTK代谢产物的主要化合物有潜力成为有前景的抗肥胖功能性食品。然而,进一步的研究应该验证这些健康益处。