Department of Pharmaceutical Chemistry, Kulliyyah of Pharmacy, International Islamic University Malaysia, Kuantan 25200, Pahang Darul Makmur, Malaysia.
Faculty Pharmacy & Health Sciences, Universiti Kuala Lumpur Royal College of Medicine Perak, Ipoh 30450, Perak Darul Ridzuan, Malaysia.
Molecules. 2018 Sep 19;23(9):2402. doi: 10.3390/molecules23092402.
() is an herbal shrub traditionally consumed to treat various diseases including diabetes in Malaysia. This study was designed to evaluate the α-glucosidase inhibitory activity of leaves extracts, and to identify the metabolites responsible for the bioactivity.
Crude extract obtained from the dried leaves using 80% methanolic solution was further partitioned using different polarity solvents. The resultant extracts were investigated for their α-glucosidase inhibitory potential followed by metabolites profiling using the gas chromatography tandem with mass spectrometry (GC-MS).
Multivariate data analysis was developed by correlating the bioactivity, and GC-MS data generated a suitable partial least square (PLS) model resulting in 11 bioactive compounds, namely, palmitic acid, phytol, hexadecanoic acid (methyl ester), 1-monopalmitin, stigmast-5-ene, pentadecanoic acid, heptadecanoic acid, 1-linolenoylglycerol, glycerol monostearate, alpha-tocospiro B, and stigmasterol. In-silico study via molecular docking was carried out using the crystal structure isomaltase (PDB code: 3A4A). Interactions between the inhibitors and the protein were predicted involving residues, namely LYS156, THR310, PRO312, LEU313, GLU411, and ASN415 with hydrogen bond, while PHE314 and ARG315 with hydrophobic bonding.
The study provides informative data on the potential α-glucosidase inhibitors identified in leaves, indicating the plant's therapeutic effect to manage hyperglycemia.
在马来西亚，（）是一种传统的草本灌木，用于治疗各种疾病，包括糖尿病。本研究旨在评估其叶提取物的α-葡萄糖苷酶抑制活性，并鉴定负责生物活性的代谢产物。
使用 80%甲醇溶液从干叶中获得粗提取物，然后用不同极性溶剂进一步进行分配。研究了所得提取物的α-葡萄糖苷酶抑制潜力，随后使用气相色谱串联质谱（GC-MS）进行代谢产物分析。
通过将生物活性与 GC-MS 数据相关联，开发了多变量数据分析，得出了一个合适的偏最小二乘（PLS）模型，确定了 11 种具有生物活性的化合物，即棕榈酸、植醇、十六烷酸（甲酯）、1-单棕榈酸甘油酯、豆甾-5-烯、十五烷酸、十七烷酸、1-亚麻酰甘油、甘油单硬脂酸酯、α-生育三烯醇 B 和豆甾醇。通过使用晶体结构（PDB 代码：3A4A）异麦芽糖酶进行分子对接的计算机模拟研究。预测抑制剂与蛋白质之间的相互作用涉及残基，即 LYS156、THR310、PRO312、LEU313、GLU411 和 ASN415 形成氢键，而 PHE314 和 ARG315 形成疏水键。
该研究提供了有关在（）叶中鉴定出的潜在α-葡萄糖苷酶抑制剂的信息性数据，表明该植物具有治疗高血糖的作用。
