生物信息学研究从Lactococcus lactis亚种中分离的生物碳酸酶B子域. 乳腺体 (Lac3) 在
Rafika Dwi Cahyani1, Apon Zaenal Mustopa2, Rifqiyah Nur Umami2
1Program of Biotechnology, IPB University, Bogor, Indonesia.
Biotechnologia
|October 27, 2025
概括
生物信息学分析确定了来自Lactococcus lactis的生物碳糖酶 (BC) B子域作为潜在的抗生素标. 这种BC B子域显示出开发通过抑制ATP结合的新型抗菌药物的前景.
科学领域:
- 微生物学 微生物学
- 生物信息学是一种生物信息学.
- 药物发现 药物发现 药物发现
背景情况:
- 抗生素耐药性构成了全球健康威胁.
- 乳球菌乳酸菌亚种. 乳糖 (Lac3) 是一种来自印度尼西亚达迪的益生菌,此前已经被测序.
- 作为一个潜在的抗生素标,Lac3的生物碳酶 (BC) B子域正在被研究.
研究的目的:
- 在Lac3.3的BC B子域上进行生物信息学分析.
- 评估BC B子域作为新型抗生素开发的潜在目标.
- 为了将Lac3 BC B子域与参考菌株的BC域进行比较.
主要方法:
- 使用AntiSMASH分析的全基因组测序数据.
- 使用AlphaFold2.2.预测的3D结构
- 使用 PyRx,AutoDock Vina 和 CPPTRAJ 进行的分子对接和动力学模拟.
主要成果:
- BC B子域基因是β-乳酸基因集群的一部分.
- 结构分析显示了与ATP-抓取域的相似之处,包括关键的ATP-结合残留物.
- 分子对接和动力学模拟证实了稳定的ATP结合,与参考菌株相当.
结论:
- BC B子域是基于片段的药物发现的潜在目标.
- 这个子域可以指导开发具有抗菌活性的新型BC抑制剂.
- 针对ATP结合部位,特别是酸盐相互作用,可以产生有效的抗菌疗法.
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