Microbial resistance to conventional antibiotics has led to a surge in antimicrobial peptide (AMP) rational design initiatives that rely heavily on algorithms with good prediction accuracy and sensitivity. We present a quantitative structure‐activity relationship (QSAR) approach for predicting activity of cathelicidins, an AMP family with broad‐spectrum activity. The best multiple linear regression model built against Escherichia coli ATCC 25922 could accurately predict activity of three rationally designed peptides CP, DP, and Mapcon, having high sequence similarity. On further experimental validation of the rationally designed peptides, CP was found to exhibit high antimicrobial activity with negligible hemolysis. Here, we provide CP, an AMP with potential therapeutic applications and a family‐based QSAR model for AMP prediction.

中文翻译：

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一种用于预测具有高序列相似性的髓系抗菌肽的 QSAR 建模方法。

微生物对传统抗生素的耐药性导致抗菌肽 (AMP) 合理设计计划的激增，这些计划严重依赖具有良好预测准确性和灵敏度的算法。我们提出了一种定量构效关系 (QSAR) 方法来预测导管素（具有广谱活性的 AMP 家族）的活性。针对大肠杆菌建立的最佳多元线性回归模型ATCC 25922可以准确预测CP、DP和Mapcon三种合理设计的肽段的活性，具有很高的序列相似性。在对合理设计的肽的进一步实验验证中，发现 CP 表现出高抗菌活性，溶血可忽略不计。在这里，我们提供了 CP、具有潜在治疗应用的 AMP 和用于 AMP 预测的基于家族的 QSAR 模型。