| 彭韵琳,魏鑫.贵州狗牙花化学成分及其抗α-葡萄糖苷酶活性研究[J].安徽医药,待发表. |
| 贵州狗牙花化学成分及其抗α-葡萄糖苷酶活性研究 |
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| 投稿时间：2025-07-07 录用日期：2025-08-05 |
| DOI： |
| 中文关键词: 贵州狗牙花 化学成分 α-葡萄糖苷酶 分子对接 |
| 英文关键词: |
| 基金项目:贵州省基础研究计划项目(黔科合基础-ZK[2023]一般430); 贵州省现代中药创制全省重点实验室(黔科合平台[2025] 019). |
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| 中文摘要: |
| 目的 研究贵州狗牙花(Tabernaemontana corymbosa)地上部位化学成分，从贵州狗牙花中发现具有抗α-葡萄糖苷酶活性的先导结构，并探究其可能的分子结合机制。方法 采用硅胶、MCI、半制备高效液相（HPLC）等色谱技术从贵州狗牙花地上部位中分离纯化单体成分，结合1H和13C核磁共振波谱（NMR）以及质谱（MS）等手段对分离得到的化合物进行结构鉴定，在明确单体结构的基础上开展体外抗α-葡萄糖苷酶活性评价，并利用Autodock Vina软件开展活性成分与α-葡萄糖苷酶之间的分子对接。结果 从贵州狗牙花地上部位中分离得到8个单体成分，其结构分别被鉴定为 alstrostine A (1)，N(4)-chloromethyltubotaiwine chloride (2)，strictamine (3)，4-methylvoachalotine (4)，pyridin-2-ol (5)，(+)-N(b)-methylaknammidine (6)，2-phenethyl-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside (7)和benzoic acid dibutyl ester (8)，化合物1、2、4-7均首次从该植物中分离得到。对所分离得到的部分化合物开展了体外抗α-葡萄糖苷酶活性评价，研究发现化合物1、3、5具有微弱的抑制活性，此外，运用分子对接手段初步探究了活性化合物与α-葡萄糖苷酶之间可能的结合机制。结论 本研究通过系统的色谱分离和波谱鉴定从贵州狗牙花中得到8个单体成分，包括多个从该植物中首次分离得到的化合物，丰富了其化学成分分子库，此外活性筛选发现了数个抗α-葡萄糖苷酶化合物，并通过分子对接手段预测了活性成分与α-葡萄糖苷酶之间可能的结合机制，为后续深入的作用机制研究提供了数据支撑和活性线索。 |
| 英文摘要: |
| Objective To research on the chemical composition of the aboveground parts of Tabernaemontana corymbosa, and identify the lead structures with anti α-glucosidase activity from T. corymbosa as well as explore their possible molecular binding mechanisms. Methods The silica gel column chromatography, MCI column chromatography, semi-preparative high-performance liquid chromatography (HPLC), and other chromatographic techniques were used to isolate and purify the components from T. corymbosa. The isolated compounds were structurally identified using 1H and 13C nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). Besides, anti α-glucosidase activity evaluation was carried out in vitro, and molecular docking between the active ingredients and α-glucosidase was performed using Autodock Vina software. Results A total of eight compounds were isolated from T. corymbosa. Their structures were identified as alstrostine A (1), N(4)-Chloromethylylbotaiwine (2), strictamine (3), 4-methylvoachalotine (4), pyridin-2-ol (5), (+)-N(b)-methylaknammidine (6)，2-phenethyl-O-α-L-rhamnopyranosyl-(1→6)-β-D-glucopyranoside (7), and benzoic acid dibutyl ester (8). Compounds 1, 2 and 4-7 were firstly isolated from this plant. The inhibitory activity of some compounds against α-glucosidase were experimented herein. Compounds 1, 3, and 5 exhibited weak inhibitory activity target α-glucosidase at the tested concentrations. In addition, molecular docking was used to preliminarily explore the possible binding mechanism between the active compounds and α-glucosidase. Conclusion This study obtained eight compounds from T. corymbosa through systematic chromatographic separation and spectroscopic identification, including some compositions isolated for the first time from the plant. In addition, several anti α-glucosidase compounds were discovered by activity screening in vitro, while the possible binding mechanism was predicted using molecular docking. This work provided data support and activity clues for in-depth research on its mechanism of action. |
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