基于堆叠的新型预测器,用于准确预测抗菌肽。

IF 2.4 3区 生物学 Q3 BIOCHEMISTRY & MOLECULAR BIOLOGY
Sameera Kanwal, Roha Arif, Saeed Ahmed, Muhammad Kabir
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引用次数: 0

摘要

抗菌肽(AMPs)能增强人体免疫力,因此作为主要的抗生素替代品正逐渐被接受和支持。抗菌肽的作用范围广,产生抗药性的风险低,这些都是制药业发现药物的关键特性。然而,抗生素敏感性是一个影响全世界人民的问题,并有可能在某一天导致流行病。作为最先进的治疗药物,AMPs 也有望治愈微生物感染。为了生产出可耐受的药物,了解 AMPs 基本结构的意义至关重要。传统的实验室方法在测试和检测 AMPs 方面既昂贵又耗时。目前,生物信息学技术已成功应用于 AMPs 的检测。在这项研究中,我们为抗微生物肽(STAMP)的预测开发了一种新颖的基于 STacking 的集合学习框架。首先,我们使用 12 种不同的特征编码方案和 7 种流行的机器学习算法构建了 84 种不同的基线模型。其次,对这些基线模型进行训练,并利用它们创建新的概率特征向量。最后,根据特征选择策略,我们确定了最佳概率特征向量,并将其进一步用于构建叠加模型。结果,STAMP 预测器在交叉验证中取得了优异的表现,准确率和马修相关系数分别为 0.930 和 0.860。独立测试中的相应指标分别为 0.710 和 0.464。总体而言,STAMP 比基线模型获得了更准确、更稳定的性能,并明显优于现有的预测器,这证明了我们提出的混合框架的有效性。此外,STAMP有望帮助全社会识别AMPs,并将有助于开发新的免疫治疗方法和药物设计。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A novel stacking-based predictor for accurate prediction of antimicrobial peptides.

Antimicrobial peptides (AMPs) are gaining acceptance and support as a chief antibiotic substitute since they boost human immunity. They retain a wide range of actions and have a low risk of developing resistance, which are critical properties to the pharmaceutical industry for drug discovery. Antibiotic sensitivity, however, is an issue that affects people all around the world and has the potential to one day lead to an epidemic. As cutting-edge therapeutic agents, AMPs are also expected to cure microbial infections. In order to produce tolerable drugs, it is crucial to understand the significance of the basic architecture of AMPs. Traditional laboratory methods are expensive and time-consuming for AMPs testing and detection. Currently, bioinformatics techniques are being successfully applied to the detection of AMPs. In this study, we have developed a novel STacking-based ensemble learning framework for AntiMicrobial Peptide (STAMP) prediction. First, we constructed 84 different baseline models by using 12 different feature encoding schemes and 7 popular machine learning algorithms. Second, these baseline models were trained and employed to create a new probabilistic feature vector. Finally, based on the feature selection strategy, we determined the optimal probabilistic feature vector, which was further utilized for the construction of our stacked model. Resultantly, the STAMP predictor achieved excellent performance during cross-validation with an accuracy and Matthew's correlation coefficient of 0.930 and 0.860, respectively. The corresponding metrics during the independent test were 0.710 and 0.464, respectively. Overall, STAMP achieved a more accurate and stable performance than the baseline models and significantly outperformed the existing predictors, demonstrating the effectiveness of our proposed hybrid framework. Furthermore, STAMP is expected to assist community-wide efforts in identifying AMPs and will contribute to the development of novel therapeutic methods and drug-design for immunity.

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来源期刊
Journal of Biomolecular Structure & Dynamics
Journal of Biomolecular Structure & Dynamics 生物-生化与分子生物学
CiteScore
8.90
自引率
9.10%
发文量
597
审稿时长
2 months
期刊介绍: The Journal of Biomolecular Structure and Dynamics welcomes manuscripts on biological structure, dynamics, interactions and expression. The Journal is one of the leading publications in high end computational science, atomic structural biology, bioinformatics, virtual drug design, genomics and biological networks.
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