Department of Pharmacognosy, Faculty of Pharmacy, Ain Shams University, Abbassia, 11566, Cairo, Egypt.
School of Pharmacy, Kumamoto University, 5-1 Oe-honmachi, Chuo ku, Kumamoto, 862-0973, Japan.
Sci Rep. 2023 Mar 30;13(1):5233. doi: 10.1038/s41598-023-32224-0.
Genus Iris comprises numerous and diverse phytoconstituents displaying marked biological activities. The rhizomes, and aerial parts of Iris pseudacorus L. cultivars from Egypt and Japan were subjected to comparative metabolic profiling using UPLC-ESI-MS/MS. The antioxidant capacity was determined using DPPH assay. In vitro enzyme inhibition potential against α-glucosidase, tyrosinase and lipase was evaluated. In silico molecular docking was conducted on the active sites of human α-glucosidase and human pancreatic lipase. Forty-three compounds were tentatively identified including flavonoids, isoflavonoids, phenolics and xanthones. I. pseudacorus rhizomes extracts (IPR-J and IPR-E) exhibited the highest radical scavenging activity with IC values of 40.89 µg/mL and 97.97 µg/mL, respectively (Trolox IC value was 14.59 µg/mL). Moreover, IPR-J and IPR-E exhibited promising α-glucosidase inhibitory activity displaying IC values of 18.52 µg/mL, 57.89 µg/mL, respectively being more potent as compared to acarbose with IC value of 362.088 µg/mL. All extracts exerted significant lipase inhibitory activity exhibiting IC values of 2.35, 4.81, 2.22 and 0.42 µg/mL, respectively compared to cetilistat with IC value of 7.47 µg/mL. However, no tyrosinase inhibitory activity was observed for all I. pseudacorus extracts up to 500 µg/mL. In silico molecular modelling revealed that quercetin, galloyl glucose, and irilin D exhibited the highest fitting scores within the active sites of human α-glucosidase and pancreatic lipase. ADMET prediction (absorption, distribution, metabolism, excretion, and toxicity) showed that most of the phytoconstituents exhibited promising pharmacokinetic, pharmacodynamics and tolerable toxicity properties. According to our findings, I. pseudacorus might be considered as a valuable source for designing novel phytopharmaceuticals.
鸢尾属包含许多具有显著生物活性的不同植物化学成分。本研究采用 UPLC-ESI-MS/MS 对来自埃及和日本的鸢尾属植物块茎和地上部分进行比较代谢组学分析。采用 DPPH 法测定其抗氧化能力。评估其对 α-葡萄糖苷酶、酪氨酸酶和脂肪酶的体外抑制潜力。对人 α-葡萄糖苷酶和人胰腺脂肪酶的活性部位进行了计算机对接。共推测出 43 种化合物，包括类黄酮、异黄酮、酚类和蒽酮。鸢尾属块茎提取物（IPR-J 和 IPR-E）表现出最高的自由基清除活性，IC 值分别为 40.89 µg/mL 和 97.97 µg/mL（Trolox IC 值为 14.59 µg/mL）。此外，IPR-J 和 IPR-E 对 α-葡萄糖苷酶表现出良好的抑制活性，IC 值分别为 18.52 µg/mL 和 57.89 µg/mL，比阿卡波糖的 IC 值 362.088 µg/mL 更有效。所有提取物对脂肪酶均表现出显著的抑制活性，IC 值分别为 2.35、4.81、2.22 和 0.42 µg/mL，与 cetilistat 的 IC 值 7.47 µg/mL 相比。然而，在 500 µg/mL 时，所有鸢尾属提取物对酪氨酸酶均无抑制活性。计算机分子建模显示，槲皮素、没食子酰葡萄糖和鸢尾苷 D 在人 α-葡萄糖苷酶和胰腺脂肪酶的活性部位具有最高的拟合分数。ADMET 预测（吸收、分布、代谢、排泄和毒性）表明，大多数植物化学成分表现出有前景的药代动力学、药效学和可耐受毒性特性。根据我们的研究结果，鸢尾属植物可能被认为是设计新型植物药的有价值来源。
