猪腰豆茎中包含的紫云英苷的α-葡萄糖苷酶抑制活性：通过计算机模拟和体外研究进行的调查。
Alpha-glucosidase inhibitory activities of astilbin contained in Bauhinia strychnifolia Craib. stems: an investigation by in silico and in vitro studies.
机构信息
Department of Applied Thai Traditional Medicine, School of Medicine, Walailak University, Nakhon Si Thammarat, 80160, Thailand.
School of Allied Health Sciences and Research Excellence Center for Innovation and Health Products (RECIHP), Walailak University, Nakhon Si Thammarat, 80160, Thailand.
出版信息
BMC Complement Med Ther. 2023 Jan 30;23(1):25. doi: 10.1186/s12906-023-03857-5.
INTRODUCTION
Bioactive compounds from traditional medicines are good alternatives to standard diabetes therapies and may lead to new therapeutic discoveries. The stems of Bauhinia strychnifolia Craib. (BC) have a possible antihyperglycemic effect; However, the extraction of astilbin from BC has never been recorded in alpha-glucosidase inhibitory activities.
METHODS
Using liquid chromatography-mass spectrometry (LC-MS/MS), 32 compounds were detected in the BC extract. The screening was based on peak area. Seven compounds found. PASS recognized all seven compounds as potential alpha-glucosidase (AG) inhibitors. Astilbin and quercetin 3-rhamnoside were the most likely inhibitors of AG. Arguslab, AutoDock, and AutoDock Vina investigated the binding of the two compounds and AG. The binding stability was confirmed by molecular dynamics (MD). In addition, the optimum solvent extraction was studied via CosmoQuick, and extracts were examined with H-NMR prior to testing with AG.
RESULTS
All three software programs demonstrated that both compounds inhibit AG more effectively than acarbose. According to the sigma profile, THF is recommended for astilbin extraction. The BC extract with THF showed outstanding AG inhibitory action with an IC of 158 ± 1.30 µg mL-1, which was much lower than that of the positive control acarbose (IC = 190 ± 6.97 µg mL-1). In addition, astilbin from BC was found to inhibit AG strongly, IC50 = 22.51 ± 0.70 µg mL-1 through the extraction method of large-scale astilbin with THF has the best extraction capacity compared to other solvents, hence the initial stage of extraction employs THF to extract and precipitate them with ethyl acetate and water.
CONCLUSION
In silico and in vitro studies reveal that astilbin inhibits AG and is superior to acarbose, validating its promise as an AG inhibitor. Overall, astilbin was the most bioactive component of BC for antidiabetic action.
简介
传统药物中的生物活性化合物是标准糖尿病治疗方法的良好替代品，可能会带来新的治疗发现。羊蹄甲属茎具有潜在的降血糖作用;然而，从羊蹄甲属中提取的杨梅素从未在α-葡萄糖苷酶抑制活性中记录过。
方法
使用液相色谱-质谱联用（LC-MS/MS），在 BC 提取物中检测到 32 种化合物。筛选基于峰面积。发现七种化合物。PASS 识别出所有七种化合物都是潜在的α-葡萄糖苷酶（AG）抑制剂。杨梅素和槲皮素 3-鼠李糖苷是 AG 最有可能的抑制剂。Arguslab、AutoDock 和 AutoDock Vina 研究了这两种化合物与 AG 的结合。通过分子动力学（MD）确认结合稳定性。此外，通过 CosmoQuick 研究了最佳溶剂提取，并在进行 AG 测试之前，通过 H-NMR 对提取物进行了检查。
结果
所有三个软件程序都表明，这两种化合物比阿卡波糖更有效地抑制 AG。根据 sigma 分布，THF 推荐用于杨梅素的提取。与阳性对照阿卡波糖（IC=190±6.97μg mL-1）相比，具有 THF 的 BC 提取物对 AG 具有出色的抑制作用，IC 为 158±1.30μg mL-1。此外，通过用 THF 提取的大规模杨梅素提取方法发现，来自 BC 的杨梅素强烈抑制 AG，IC50=22.51±0.70μg mL-1，与其他溶剂相比，THF 的提取能力最佳，因此在提取的初始阶段，采用 THF 提取并分别用乙酸乙酯和水沉淀。
结论
体内和体外研究表明，杨梅素抑制 AG，优于阿卡波糖，验证了其作为 AG 抑制剂的潜力。总的来说，杨梅素是 BC 中具有抗糖尿病作用的最具生物活性的成分。
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