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基于径向基函数网络的离子通道靶向芋螺毒素类型预测。

Prediction of the types of ion channel-targeted conotoxins based on radial basis function network.

机构信息

Key Laboratory for NeuroInformation of Ministry of Education, Center of Bioinformatics, School of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu 610054, China.

出版信息

Toxicol In Vitro. 2013 Mar;27(2):852-6. doi: 10.1016/j.tiv.2012.12.024. Epub 2012 Dec 29.

Abstract

Conotoxins are small disulfide-rich peptide toxins, which have the exceptional diversity of sequences. Because conotoxins are able to specifically bind to ion channels and interfere with neurotransmission, they are considered as the excellent pharmacological candidates in drug design. Appropriate type assignment of newly sequenced mature ion channel-targeted conotoxins with computational method is conducive to explore the biological and pharmacological functions of conotoxins. In this paper, we developed a novel method based on binomial distribution and radial basis function network to predict the types of ion-channel targeted conotoxins. We achieved the overall accuracy of 89.3% with average accuracy of 89.7% in the prediction of three types of ion channel-targeted conotoxins in jackknife cross-validation test, indicating that the method is superior to other state-of-the-art methods. In addition, we evaluated the proposed model with an independent dataset including 77 conotoxins. The overall accuracy of 85.7% was achieved, validating that our model is reliable. Moreover, we used the proposed method to annotate 336 function-undefined mature conotoxins in the UniProt Database. The model provides the valuable instructions for theoretical and experimental research on conotoxins.

摘要

短肽毒素 Conotoxin 富含二硫键,序列具有高度多样性。由于 Conotoxin 能够特异性结合离子通道并干扰神经递质传递,因此被认为是药物设计中极具潜力的药理学候选物。通过计算方法对新测序的成熟靶向离子通道 Conotoxin 进行适当的类型分配,有利于探索 Conotoxin 的生物学和药理学功能。本文开发了一种基于二项式分布和径向基函数网络的新型方法,用于预测靶向离子通道的 Conotoxin 类型。在 Jackknife 交叉验证测试中,我们对三种靶向离子通道的 Conotoxin 进行了预测,总体准确率达到 89.3%,平均准确率达到 89.7%,表明该方法优于其他最先进的方法。此外,我们还使用包含 77 个 Conotoxin 的独立数据集对所提出的模型进行了评估,总准确率达到 85.7%,验证了该模型的可靠性。此外,我们还使用所提出的方法对 UniProt 数据库中的 336 个功能未定义的成熟 Conotoxin 进行了注释。该模型为 Conotoxin 的理论和实验研究提供了有价值的指导。

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