基于GC-MS的Phyllanthus niruri生物活性分析及其通过实验和计算研究的抗菌潜力
Zubair Khalid Labu1, Samira Karim1, Maria Afroz1
1Department of Pharmacy, World University of Bangladesh (WUB), Uttara, Dhaka, Bangladesh.
PloS one
|January 23, 2026
概括
Phyllanthus niruri 提取物对各种细菌具有强烈的抗菌活性. 通过GC-MS和分子对接识别的生物活性化合物表明开发新抗菌药物的潜力.
科学领域:
- 植物化学 植物化学
- 微生物学 微生物学
- 计算化学的计算化学
背景情况:
- 尼鲁里 (Phyllanthus niruri) 是一种具有传统医药用途的植物.
- 由于抗生素耐药性日益增加,探索天然产品的抗菌剂至关重要.
研究的目的:
- 评估Phyllanthus niruri. 的抗菌潜力.
- 使用GC-MS.识别生物活性化合物.
- 评估体外抗菌疗效. 在体外抗菌疗效.
- 通过分子对接和药理动力学分析验证与细菌点的相互作用.
主要方法:
- 甲醇提取和分化 (库普查方法).
- 植物化学查,总含量 (TPC) 和总黄含量 (TFC) 的确定.
- 气色谱-质谱 (GC-MS) 用于化合物识别.
- 抗菌试验 (光盘扩散,MIC,MBC). 抗菌试验 (光盘扩散,MIC,MBC). 抗菌试验包括:
- 分子对接 (PyRx),ADMET (pkCSM) 和药物相似性 (SwissADME) 的分析.
主要成果:
- 甲醇 (MSF) 和乙酸乙烯 (ESF) 分数显示最高的TPC和TFC.
- GC-MS确定了75种化合物,包括3,4-dimethoxy-dl-phenylalanine和乙胺.
- 多种疾病基金和欧洲社会基金对大肠杆菌和黄金杆菌有显著的抗菌活性.
- MIC值在62.5至250μg/mL之间;MBC/MIC比率≤4表示有杀菌作用.
- 分子对接显示出对乙胺和3 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - 酸与细菌点具有很高的结合亲和力.
结论:
- 菲兰丁斯·尼鲁里 (Phyllanthus niruri) 的极分含有强大的抗菌植物化学物质.
- 经过GC-MS,体外和研究,验证了它的抗微生物潜力.
- 菲兰斯 (Phyllanthus niruri) 是新型抗菌药物开发的有希望的天然来源.
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