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通过蛋白质语言模型发现进化上遥远和高度强大的抗微生物

Qinze Yu¹, Hongbin Liu², Haimei Shi^2,3

¹Department of Computer Science and Engineering, The Chinese University of Hong Kong, Hong Kong SAR, China.

Nature biomedical engineering

|March 3, 2026

概括

本研究介绍了HMD-AMP,这是一种用于发现进化远离的抗微生物 (AMP) 的新型蛋白质语言模型. 这种方法确定了数百万种潜在的AMP,其中许多显示出强大的抗菌活性和治疗疗效.

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:

抗生素耐药性需要新的抗微生物 (AMP).
目前的AMP发现方法错过了进化上遥远的候选者.
识别远程AMP是新临床治疗的关键.

研究的目的:

开发一种新的计算方法来识别进化遥远的AMP.
从大规模的基因组数据中发现新的,强大的AMP.
验证新发现的AMP的治疗潜力.

主要方法:

开发了HMD-AMP,这是用于AMP发现的蛋白质语言模型.
将HMD-AMP应用于哺乳动物宿主和肠道微生物基因组.
对抗菌活性和毒性进行实验验证的预测AMP.

主要成果:

在HMD-AMP中,已经确定了超过3700万个潜在的AMP.
实验验证证在91个序列中的74个中证实了强烈的抗菌活性.
48个验证的AMP在进化上远离已知的AMP.
四种AMP表现出广泛的活性,低毒性和体内治疗疗效.

结论:

HMD-AMP是一种有效的策略,用于发现新的,进化遥远的AMP.
发现的AMP显示承诺作为临床候选人对抗抗生素耐药性.
这种方法显著扩大了已知的AMP的曲目.

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