Post-Graduation Department in Chemistry, Federal University of Piauí, Teresina 64000-040, Brazil.
Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, Aberdeen AB24 3UE, UK.
Molecules. 2022 Sep 15;27(18):6016. doi: 10.3390/molecules27186016.
In this work, a metabolic profile of was investigated, and in vitro assays and theoretical approaches were carried out to evaluate its antioxidant potential. The phytochemical screening detected saponins, organic acids, phenols, tannins, flavonoids, and alkaloids in extracts of leaves, branches, and roots. Through LC-MS analysis, the triterpenes oleanolic acid (/ 455 [M-H]) and ursolic acid (/ 455 [M-H]) were identified as the main bioactive components. The extracts of the leaves, branches, and roots revealed moderate antioxidant potential in the DPPH test and all extracts were more active in the ABTS test. The leaf extracts showed better antioxidant capacity, displaying IC values of 43.5 ± 0.14, 63.6 ± 0.54, and 56.1 ± 0.05 µg mL for DPPH, ABTS, and kinetics assays, respectively. The leaf extract showed higher total flavonoid content (TFC) (5.12 ± 1.02 mg QR/g), followed by branches (3.16 ± 0.88 QR/g) and roots (2.04 ± 0.52 QR/g/g). The extract of the branches exhibited higher total phenolic content (TPC) (1.07 ± 0.77 GAE/g), followed by leaves (0.58 ± 0.30 GAE/g) and roots (0.19 ± 0.47 GAE/g). Pharmacophore and molecular docking analysis were performed in order to better understand the potential mechanism of the antioxidant activity of its major metabolites.
本工作研究了 的代谢特征，通过体外试验和理论方法评估了其抗氧化潜力。植物化学成分筛查在叶、枝和根提取物中检测到了皂苷、有机酸、酚类、单宁、类黄酮和生物碱。通过 LC-MS 分析，鉴定出三萜类化合物齐墩果酸（/ 455 [M-H]）和熊果酸（/ 455 [M-H]）为主要的生物活性成分。叶、枝和根提取物在 DPPH 试验中显示出中等的抗氧化潜力，所有提取物在 ABTS 试验中更具活性。叶提取物显示出更好的抗氧化能力，其在 DPPH、ABTS 和动力学试验中的 IC 值分别为 43.5 ± 0.14、63.6 ± 0.54 和 56.1 ± 0.05 µg mL。叶提取物具有较高的总黄酮含量（TFC）（5.12 ± 1.02 mg QR/g），其次是枝（3.16 ± 0.88 QR/g）和根（2.04 ± 0.52 QR/g）。枝提取物具有较高的总酚含量（TPC）（1.07 ± 0.77 GAE/g），其次是叶（0.58 ± 0.30 GAE/g）和根（0.19 ± 0.47 GAE/g）。为了更好地理解其主要代谢物抗氧化活性的潜在机制，进行了药效团和分子对接分析。
