CNN-OSBO编码器-解码器结构用于预测Covid-19靶标的药物-靶标相互作用(DTI)

K. Nandhini, G. Thailambal
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引用次数: 0

摘要

药物靶标相互作用(DTI)预测是药物发现和重新定位(DDR)的一个重要因素,因为它可以检测药物对靶标蛋白的反应。2019冠状病毒病(COVID-19)造成了致命性肺炎群,其临床表现与SARS-CoV相似。由于疾病形式多样,结构各异,因此对COVID-19临床结局的准确诊断更具挑战性。因此,预测各种药物与SARS-CoV靶蛋白之间的相互作用是非常重要的,这可能会导致发现治疗这种致命疾病的新药。近年来,深度学习技术已被应用于DTI预测的研究中。由于CNN是主要的深度学习模型之一,具有创建预测特征向量或嵌入的能力,因此设计了用于Covid-19目标DTI预测的CNN-OSBO编码器架构。给定输入药物和Covid-19目标对数据,将它们分别输入到基于反对派的Satin Bowerbird Optimizer (OSBO)编码器模块的卷积神经网络(CNN)中。这里利用OSBO来调节CNN层的超参数(HPs)。然后嵌入这两个编码数据以创建绑定模块。最后,CNN解码器模块通过返回亲和力或相互作用评分来预测药物与Covid-19靶标的相互作用。实验结果表明,与现有技术相比,使用CNN+OSBO进行DTI预测可以获得更好的精度结果。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
CNN-OSBO Encoder-Decoder Architecture for Drug-Target Interaction (DTI) Prediction of Covid-19 Targets
Drug Target Interaction (DTI) prediction is an important factor is drug discovery and repositioning (DDR) since it detects the response of a drug over a target protein. The Coronavirus disease 2019 (COVID-19) disease created groups of deadly pneumonia with clinical appearance mostly similar to SARS-CoV. The precise diagnosis of COVID-19 clinical outcome is more challenging, since the diseases has various forms with varying structures. So predicting the interactions between various drugs with the SARS-CoV target protein is very crucial need in these days, which may leads to discovery of new drugs for the deadly disease. Recently, Deep learning (DL) techniques have been applied by the researches for DTI prediction. Since CNN is one of the major DL models which has the ability to create predictive feature vectors or embeddings, CNN-OSBO encoder-decoder architecture for DTI prediction of Covid-19 targets has been designed Given the input drug and Covid-19 target pair of data, they are fed into the Convolution Neural Networks (CNN) with Opposition based Satin Bowerbird Optimizer (OSBO) encoder modules, separately. Here OSBO is utilized for regulating the hyper parameters (HPs) of CNN layers. Both the encoded data are then embedded to create a binding module. Finally the CNN Decoder module predicts the interaction of drugs over the Covid-19 targets by returning an affinity or interaction score. Experimental results state that DTI prediction using CNN+OSBO achieves better accuracy results when compared with the existing techniques.
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