Department of Applied Chemistry, 125545 School of Applied Natural Science, Adama Science and Technology University , P.O.Box 1888, Adama, Ethiopia.
Traditional and Modern Medicine Research and Development, 70605 Armauer Hansen Research Institute , P.O. Box 1005, Addis Ababa, Ethiopia.
Z Naturforsch C J Biosci. 2024 Jun 13;79(9-10):305-327. doi: 10.1515/znc-2024-0044. Print 2024 Sep 25.
is a traditional medicinal plant used to treat hypertension, diarrhea and urinary disorders. Silica gel chromatographic separation of CHCl/MeOH (1:1) roots extract of afforded seven compounds namely; β-sitosterol (), stigmasterol (), 6a, 12a-dehydro-deguelin (), tephrosin (), maackiain (), obovatin () and 6-oxo, 6a, 12a-dehydro-deguelin (). GC-MS analysis of essential oils from the root of displayed a total of 17 compounds of which cis-nerolidol (41.7 %) and cadinol (19.7 %) were the major constituents. CHCl/MeOH (1:1) extract, MeOH extract, maackiain () and obovatin () showed moderate inhibitory activity against with MIC value of 0.5, 0.66, 0.83 and 0.83 mg/mL, respectively, compared to ciprofloxacin (MIC of 0.078 μg/mL). 6a, 12a-dihydro-deguelin (), and 6-oxo, 6a, 12a-dehydro-deguelin () displayed significant activity against with MIC values of 0.66 mg/mL. Tephrosin () and maackiain () also showed moderate antibacterial activity against and with MIC values of 0.83 and 0.5 mg/mL, respectively, compared to ciprofloxacin (0.312 μg/mL). The radical scavenging activity results indicated that tephrosin (), obovatin () and 6-oxo, 6a, 12a-dehydro-deguelin () showed potent DPPH scavenging activity with IC values of 10.97, 10.43 and 10.73 μg/mL, respectively, compared to ascorbic acid (IC of 5.83 μg/mL). The docking prediction results revealed that 6a, 12a-dehydro-deguelin () displayed the best binding energy of -8.1 kcal/mol towards pyruvate kinase of (PDB ID: 3T07) and -7.9 kcal/mol towards urease (PDB ID: 1E9Y) and DNA gyrase B of (PDB: 4F86) receptors compared to ciprofloxacin (-7.2 to -8.0 kcal/mol). Maackiain () and obovatin () displayed the minimum binding energy of -7.9 and -8.2 kcal/mol towards the LasR protein of (PDB: ID 2UV) and FtsZ (PDB: ID 4M8I), respectively. The SwissADME drug-likeness and Pro Tox II toxicity prediction results indicated that compounds (-) obeyed Lipinski's rule of five with 0 violations and none of them were found to be hepatotoxic, mutagenic, and cytotoxic, respectively. The assessment results supported by the in silico analysis revealed that crude extracts and isolated compounds showed promising antibacterial and antioxidant activity, which proves the therapeutic potential of the roots of .
是一种传统的药用植物，用于治疗高血压、腹泻和泌尿系统疾病。CHCl/MeOH（1:1）根提取物的硅胶色谱分离提供了七种化合物，分别为：β-谷甾醇（）、豆甾醇（）、6a，12a-脱氢-去甲氧基（）、千里光宁（）、马卡因（）、obovatin（）和 6-氧代，6a，12a-脱氢-去甲氧基（）。根精油的 GC-MS 分析显示总共有 17 种化合物，其中顺式-橙花叔醇（41.7%）和卡多醇（19.7%）是主要成分。CHCl/MeOH（1:1）提取物、甲醇提取物、马卡因（）和 obovatin（）对 表现出中等抑制活性，MIC 值分别为 0.5、0.66、0.83 和 0.83 mg/mL，而环丙沙星（MIC 为 0.078 μg/mL）。6a，12a-二氢-去甲氧基（）和 6-氧代，6a，12a-脱氢-去甲氧基（）对 表现出显著的活性，MIC 值分别为 0.66 mg/mL。千里光宁（）和马卡因（）对 和 也表现出中等的抗菌活性，MIC 值分别为 0.83 和 0.5 mg/mL，而环丙沙星（0.312 μg/mL）。自由基清除活性结果表明，千里光宁（）、obovatin（）和 6-氧代，6a，12a-脱氢-去甲氧基（）对 DPPH 具有很强的清除活性，IC 值分别为 10.97、10.43 和 10.73 μg/mL，而抗坏血酸（IC 为 5.83 μg/mL）。对接预测结果表明，6a，12a-脱氢-去甲氧基（）对 （PDB ID：3T07）的丙酮酸激酶和 （PDB ID：1E9Y）的 脲酶以及 （PDB：4F86）的 DNA 回旋酶 B 表现出最佳的结合能-8.1 kcal/mol，而环丙沙星（-7.2 至-8.0 kcal/mol）。马卡因（）和 obovatin（）对 （PDB：ID 2UV）的 LasR 蛋白和 （PDB：ID 4M8I）的 FtsZ 蛋白的最低结合能分别为-7.9 和-8.2 kcal/mol。瑞士 ADME 药物样性和 Pro Tox II 毒性预测结果表明，化合物（-）遵守了 Lipinski 的五规则，有 0 个违规，并且它们都没有显示出肝毒性、致突变性和细胞毒性。计算机模拟分析支持的评估结果表明，粗提物和分离化合物表现出有希望的抗菌和抗氧化活性，这证明了 的根具有治疗潜力。
