ABSTRACT Present study reports metabolites profiling, antioxidant, and antidiabetic effects of Cuscuta reflexa grown on Casearia tomentosa. The UHPLC-QTOF-MS/MS method was used to characterize phytochemicals in most potent extract. Thirteen bioactive compounds/metabolites including (2S)-3-(β-D-galactopyranosyloxy)-2-(hexanoyloxy)propyl nonanoate, 4-O-β-D-glucosyl-4-coumaric acid, isorhamnetin-3-O-glucoside, 7-(α-D-glucopyranosyloxy)-2,3,4,5,6-pentahydroxyheptanoic acid, 13S-hydroxyoctadecadienoic acid, astragaloside derivative, salicylic acid, oleanolic acid, citric acid, pinellic acid, quinic acid, caffeic acid derivative and caffeic acid-3-glucoside were detected in 80% hydroethanolic (HE) extract. Among different extracts (aqueous, 20–80% HE and pure ethanolic), 80% HE extract showed maximum TPC (186.19 ± 2.15 mg GAE/g DE) and TFC (106.50 ± 1.68 mg RE/g DE). A strong correlation was observed between TPC, TFC, DPPH radical scavenging (IC50 = 60.64 ± 1.74 µg/mL) and TAP activity (235.96 ± 1.33 mg AAE/g DE) of 80% HE extract among others. The same extract also depicted highest α-amylase and α-glucosidase enzyme inhibition with IC50 of 71.84 ± 1.06 and 57.25 ± 1.40 µg/mL, respectively. Molecular docking was performed to explore possible role of identified phytochemicals. Binding affinity data as well as interaction patterns have revealed possible interaction of the identified bioactives against α-glucosidase and α-amylase. Moreover, intra-molecular charge transfer, energies of the FMOs, HOMO-LUMO-Egaps, MEP and IP were also explained. The present findings suggested that, C. reflexa is a promising natural antioxidant and antidiabetic agent, thus supporting the use of this plant for designing related functional foods and nutra-pharmaceuticals.

中文翻译：

---

UHPLC-QTOF-MS/MS 代谢物分析和毛毛菟丝子的抗氧化/抗糖尿病特性：通过分子对接探索植物化学物质的作用

摘要 目前的研究报告了生长在毛毛囊藻上的菟丝子的代谢物分析、抗氧化和抗糖尿病作用。UHPLC-QTOF-MS/MS 方法用于表征大多数有效提取物中的植物化学物质。13 种生物活性化合物/代谢物，包括 (2S)-3-(β-D-吡喃半乳糖氧基)-2-(己酰氧基)丙基壬酸酯、4-O-β-D-葡萄糖基-4-香豆酸、异鼠李素-3-O-葡萄糖苷, 7-(α-D-吡喃葡萄糖氧基)-2,3,4,5,6-五羟基庚酸、13S-羟基十八碳二烯酸、黄芪甲苷衍生物、水杨酸、齐墩果酸、柠檬酸、半夏酸、奎尼酸、咖啡酸衍生物在 80% 的水乙醇 (HE) 提取物中检测到咖啡酸-3-葡萄糖苷。在不同的提取物（水性、20-80% HE 和纯乙醇）中，80% HE 提取物显示出最大的 TPC (186.19 ± 2.15 mg GAE/g DE) 和 TFC (106.50 ± 1)。68 mg RE/g DE）。80% HE 提取物的 TPC、TFC、DPPH 自由基清除率 (IC50 = 60.64 ± 1.74 µg/mL) 和 TAP 活性 (235.96 ± 1.33 mg AAE/g DE) 之间存在很强的相关性。同一提取物还表现出最高的 α-淀粉酶和 α-葡萄糖苷酶抑制作用，IC50 分别为 71.84 ± 1.06 和 57.25 ± 1.40 µg/mL。进行分子对接以探索已鉴定的植物化学物质的可能作用。结合亲和力数据以及相互作用模式揭示了已鉴定的生物活性物质可能与 α-葡萄糖苷酶和 α-淀粉酶相互作用。此外，还解释了分子内电荷转移、FMO 的能量、HOMO-LUMO-Egaps、MEP 和 IP。目前的研究结果表明，C. reflexa 是一种很有前途的天然抗氧化剂和抗糖尿病剂，