Almuhayawi Mohammed S, Alruhaili Mohammed H, Gattan Hattan S, Alharbi Mohanned Talal, Nagshabandi Mohammed K, Hagagy Nashwa, Almuhayawi Saad M, Al Jaouni Soad K, Selim Samy, Mostafa Ehab M, Elnosary Mohamed E
Department of Clinical Microbiology and Immunology, Faculty of Medicine, King Abdulaziz University, Jeddah, Saudi Arabia.
Special Infectious Agents Unit, King Fahad Medical Research Center, King AbdulAziz University, Jeddah, Saudi Arabia.
Front Bioeng Biotechnol. 2024 Mar 13;12:1348344. doi: 10.3389/fbioe.2024.1348344. eCollection 2024.
Active components in medicinal plants provide unlimited useful and traditional medicines. Antimicrobial activities are found in secondary metabolites in plant extracts such as argan oil. This experimental investigation aims to determine argan oil's volatile compounds and examine their antimicrobial properties. simulations, molecular docking, pharmacokinetics, and drug-likeness prediction revealed the processes underlying the biological possessions. Gas chromatography-mass spectrometry (GC/MS) was used to screen argan oil's primary components. molecular docking studies were used to investigate the ability of the selected bioactive constituents of argan oil to act effectively against and () isolated from infections. The goal was to study their ability to interact with both bacteria's essential therapeutic target protein. The 21 chemicals in argan oil were identified by GC/MS. Docking results for all compounds with and protease proteins ranged from -5 to -9.4 kcal/mol and -5.7 to -9.7 kcal/mol, respectively, compared to reference ligands. Our docking result indicates that the 10-octadecenoic acid, methyl ester was the most significant compound with affinity scores of -9.4 and -9.7 kcal/mol for and proteins, respectively. The minimal bactericidal concentration (MBC) and minimal inhibitory concentration (MIC) of argan oil were 0.7 ± 0.03 and 0.5 ± 0.01 for and 0.4 ± 0.01 and 0.3 ± 0.02 for , respectively. We confirmed the antimicrobial properties of argan oil that showed significant growth inhibition for and
药用植物中的活性成分提供了无限的有用药物和传统药物。在植物提取物(如阿甘油)的次生代谢产物中发现了抗菌活性。本实验研究旨在确定阿甘油的挥发性化合物,并检测其抗菌特性。模拟、分子对接、药代动力学和药物相似性预测揭示了其生物学特性背后的过程。采用气相色谱 - 质谱联用(GC/MS)技术筛选阿甘油的主要成分。利用分子对接研究来考察阿甘油中选定的生物活性成分对从感染中分离出的 和 ()的有效作用能力。目的是研究它们与两种细菌的关键治疗靶点蛋白相互作用的能力。通过GC/MS鉴定出阿甘油中的21种化学成分。与参考配体相比,所有化合物与 和 蛋白酶蛋白的对接结果分别为 -5至 -9.4千卡/摩尔和 -5.7至 -9.7千卡/摩尔。我们的对接结果表明,10 - 十八碳烯酸甲酯是最显著的化合物,对 和 蛋白的亲和分数分别为 -9.4和 -9.7千卡/摩尔。阿甘油对 的最低杀菌浓度(MBC)和最低抑菌浓度(MIC)分别为0.7±0.03和0.5±0.01,对 的最低杀菌浓度和最低抑菌浓度分别为0.4±0.01和0.3±0.02。我们证实了阿甘油的抗菌特性,其对 和 显示出显著的生长抑制作用