使用基于AI/ML的工具发现新兴病原体的潜在毒性因素:Emergomyces africanus中的一个案例研究
Peter F Farag1, Karema S Abdel-Monem2, Hibah M Albasri3
1Department of Microbiology, Faculty of Science, Ain Shams University, Cairo, Egypt.
Frontiers in cellular and infection microbiology
|December 18, 2025
概括
人工智能 (AI) 和机器学习 (ML) 工具可以预测新出现的病原体的毒性因素,如Emergomyces Africanus. 一种类似细胞酶的蛋白质表现出强烈的与MHC-II的结合,这表明有可能发现新的毒性基因.
科学领域:
- 菌类学 菌类学是指菌类学.
- 结构生物学 结构生物学
- 生物信息学是一种生物信息学.
背景情况:
- 人工智能 (AI) 的当前时代需要其在科学学科中的应用,包括预测新兴病原体的毒性因素.
- 了解病原性至关重要,特别是对于具有许多假设或未表征蛋白质和新型孤儿蛋白质的病原体.
- 这项研究的重点是开发一个管道来预测和注释特定物种的分泌蛋白质结构,使用*Emergomyces africanus*作为模型生物体.
研究的目的:
- 开发一种计算管道,用于预测和注释新兴病原体的特定物种分泌蛋白质结构.
- 通过使用人工智能和机器学习,识别 *Emergomyces africanus* 的潜在毒性因素.
- 探索宿主-病原体相互作用,并发现新的毒性基因.
主要方法:
- 从NCBI获得了 *E. africanus* CBS 136260 的蛋白质组.
- 使用基于ML的SignalP和Phobius工具预测了秘密.
- 使用AlphaFold2进行假设蛋白质的结构建模,使用DeepFRI进行功能注释.
- 对MHC-II.II的候选蛋白质进行了分子对接分析.
主要成果:
- 结构建模和同质匹配确定了与毒素,过敏原,粘合素,酶和抑制剂相似的蛋白质域.
- 发现了具有假定功能的新域,包括离子结合,蛋白质分解,转移酶活性和蛋白质结合.
- 在免疫信息学和分子对接研究中,一种类似细胞素的蛋白质 (基因ID:ACJ72_08076) 表现出最强的与MHC-II的结合.
结论:
- 人工智能和机器学习工具对宿主-病原体相互作用的初步探索是有效的.
- 开发的管道可以帮助预测新兴病原体中的新病毒性基因.
- 这些发现突显了计算方法在理解真菌病原性方面的潜力.
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