Pentacyclic triterpenes and cardenolides were isolated from Acokanthera oblongifolia leaves. Their chemical structures were determined based on comprehensive 1D and 2D NMR spectroscopy. Their MIC was determined against 12 microorganisms. Their exerted cytotoxicity on the immortalized normal cells, hTERT-RPE1 was assessed by the sulforhodamine-B assay. The viral inhibitory effects of compounds against Newcastle disease virus (NDV) and H5N1 influenza virus IV were evaluated. Four in vitro antioxidant assays were performed in comparison with BHT and trolox and a weak activity was exhibited. Acovenoside A was with potent against H5N1-IV and NDV with IC 50 ≤ 3.2 and ≤ 2.1 μg/ml and SI values of 93.75 and 95.23%, respectively, in comparison to ribavirin. Its CC 50 record on Vero cells was > 400 and 200 μg/ml, respectively. Acobioside A was the most active compound against a broad range of microbes while Pseudomonas aeruginosa was the most sensitive. Its MIC (0.07 μg/ml) was 1/100-fold of the recorded CC 50 (7.1 μg/ml/72 h) against hTERT-RPE1. The molecular docking of compounds on human DNA topoisomerase I (Top1-DNA) and IV glycoprotein hemagglutinin were studied using MOE program. This study has introduced the cardenolides rather than triterpenoids with the best docking score and binding interaction with the active site of the studied proteins.

中文翻译：

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从 Acokanthera oblongifolia 叶子中分离的 Cardenolides 和五环三萜：它们的生物活性与分子对接研究

从 Acokanthera oblongifolia 的叶子中分离出五环三萜和cardenolides。它们的化学结构是基于综合的 1D 和 2D NMR 光谱确定的。它们的 MIC 是针对 12 种微生物测定的。它们对永生化的正常细胞产生细胞毒性，hTERT-RPE1 通过磺基罗丹明-B 测定进行评估。评估了化合物对新城疫病毒 (NDV) 和 H5N1 流感病毒 IV 的病毒抑制作用。与 BHT 和 trolox 相比，进行了四项体外抗氧化试验，表现出较弱的活性。与利巴韦林相比，木瓜苷 A 对 H5N1-IV 和 NDV 具有强效作用，IC 50 ≤ 3.2 和 ≤ 2.1 μg/ml，SI 值分别为 93.75 和 95.23%。它在 Vero 细胞上的 CC 50 记录分别为 > 400 和 200 μg/ml。Acobioside A 是对多种微生物最有效的化合物，而铜绿假单胞菌是最敏感的。其对 hTERT-RPE1 的 MIC (0.07 μg/ml) 是记录的 CC 50 (7.1 μg/ml/72 h) 的 1/100 倍。使用MOE程序研究了化合物在人DNA拓扑异构酶I（Top1-DNA）和IV糖蛋白血凝素上的分子对接。该研究引入了具有最佳对接评分和与所研究蛋白质活性位点结合相互作用的cardenolides而不是三萜类化合物。使用MOE程序研究了化合物在人DNA拓扑异构酶I（Top1-DNA）和IV糖蛋白血凝素上的分子对接。该研究引入了具有最佳对接评分和与所研究蛋白质活性位点结合相互作用的cardenolides而不是三萜类化合物。使用MOE程序研究了化合物在人DNA拓扑异构酶I（Top1-DNA）和IV糖蛋白血凝素上的分子对接。该研究引入了具有最佳对接评分和与所研究蛋白质活性位点结合相互作用的cardenolides而不是三萜类化合物。