鉴定和描述来自山西老化微生物组的新型广谱细菌素:机器学习,分子模拟和活动验证
Meili Cui1, Mengyue Wang1, Haoyan Sun1
1State Key Laboratory of Food Nutrition and Safety, Tianjin Engineering Research Center of Microbial Metabolism and Fermentation Process Control. College of Biotechnology, Tianjin University of Science and Technology, Tianjin 300457, China.
International journal of biological macromolecules
|May 11, 2024
概括
通过机器学习和分子模拟,在山西老中发现了新型细菌素. 两种强效的细菌素,LAB-3和LAB-4,对像金黄色葡萄球菌和大肠杆菌这样的细菌表现出广泛的抗菌活性.
科学领域:
- 微生物学和生物技术
- 生物信息学和计算生物学
背景情况:
- 山西老含有多样化的微生物群.
- 这种微生物组是新型抗微生物化合物的潜在来源,称为细菌素.
研究的目的:
- 发现和描述来自山西老化微生物组的新型宽谱细菌素.
- 为了利用机器学习,分子模拟和实验验证这一发现.
主要方法:
- 机器学习技术应用于metatranscriptomic数据,以挖掘潜在的细菌素.
- 使用AlphaFold2结构预测和分子动力学模拟来选稳定的细菌素.
- 使用大肠杆菌表达系统验证了静菌活性,随后进行净化和质谱.
主要成果:
- 确定了158种潜在的细菌素,发现有12种微生物分泌它们.
- 选择了8种稳定的细菌素,它们都表现出细菌静止活性.
- 两个细菌素,LAB-3和LAB-4,表现出强大的宽谱活性,对抗金黄色葡萄球菌和大肠杆菌 (MICs 6.7915.31 μg/mL).
- 分子对接表明LAB-3和LAB-4与二叶酸减少酶相互作用.
结论:
- 这项研究成功地识别和表征了来自山西老化微生物组的两种新型广谱细菌素,LAB-3和LAB-4.
- 这些细菌素显示出作为有效的抗微生物剂对抗阳性和阴性细菌的承诺.
- 机器学习和分子模拟的综合方法对于从复杂的微生物群体中发现抗菌化合物是有效的.
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