基于多层功能结构的谷物蛋白质功能预测  

Prediction of cereal protein function based on multilayer functional structures

作　　者：沈婷婷 刘静[1] 管骁[2,3] SHEN Tingting;LIU Jing;GUAN Xiao(College of Information Engineering,Shanghai Maritime University,Shanghai 201306,China;School of School of Health Scienceand Engineering,University of Shanghai for Science and Technology,Shanghai 200093,China;National Grain Industry(Urban Grain and Oil Security)Technology Innovation Center,Shanghai 200093,China)

机构地区：[1]上海海事大学信息工程学院,上海201306 [2]上海理工大学健康科学与工程学院,上海200093 [3]国家粮食产业(城市粮油保障)技术创新中心,上海200093

出　　处：《农业工程学报》2023年第1期261-268,共8页Transactions of the Chinese Society of Agricultural Engineering

基　　金：国家自然科学基金项目(32172247);内蒙古自治区科技重大专项“燕麦新品种选育、绿色栽培技术与营养功能产品研究与示范”(2021ZD0002)。

摘　　要：为使研究人员可以更加便捷、准确地选择功能蛋白质,更高效完成谷物功能性食品的研发与创新,该研究提出基于多层功能结构的谷物蛋白质功能预测方法。该研究首先构建多种谷物数据共建的大规模相互作用网络,通过集群的功能特征与未知蛋白的交互作用探寻未知蛋白的相关功能;其次,定义新的蛋白质权重与语义相似度、功能层级权重来确定蛋白质可能具有的功能;最后,通过评分机制辅助完成谷物蛋白质功能的预测结果的判定。试验结果表明,该研究提出的预测方法使预测的功能具有层级性的特点,并且可获得指定功能蛋白质;对功能类别FunCat(functional catelogue)前二层的谷物蛋白质功能预测平均准确率达到85%以上,且能完成对蛋白质的第五层、第六层功能的预测;层级结构的可回溯性使得预测结果差的功能返回至上层功能,并达到降低假阳性的概率、提高算法整体的预测准确率的效果。该研究结果可为功能类食品、药品的研发提供参考。Cereals are very valuable food sources of healthy and sustainable protein.Food innovations in cereal protein are ever transitioning to more sustainable food systems for healthy diets.A more precise understanding is required by the functions that cereal proteins have.The application of cereal proteins has greatly contributed to genomics and food science today.In this study,a functional prediction was proposed for the cereal proteins using a multilayer functional structure,in order to select the functional proteins more conveniently and accurately.A large-scale interaction network was also constructed with the indica,japonica,wheat,maize,and soybean data.Firstly,the relevant functions of unknown proteins were explored via the interaction of functional features of clusters with the unknown proteins.Secondly,new protein weights,semantic similarity,and functional hierarchy weights were defined to determine the possible functions of proteins.Finally,the grain protein function was further determined using a scoring mechanism in the prediction of the function.The results show that better performance was achieved to predict the function of cereal proteins,particularly with a precision of about 77%for the accurate protein function prediction and up to 92%for the fuzzy protein function prediction using retraceability.A great contribution was made to determine the functional range of unknown proteins,especially with the high efficiency of prediction.The precision of protein function prediction varied significantly at different levels,with an average precision of 92%at level-1,85%at level-2,and 69%at the level-4.More importantly,the average precision was close to 80%in all six levels of FunCat.As such,the multi-layer functional structure of proteins was predicted to calculate the number of unknown proteins with different sizes.The precision of the prediction was 76%at an unknown protein size of 50,72%at an unknown protein number of 100,and 66%at an unknown protein number of 200.There was no sharp decrease with the significant

关 键 词：蛋白质 功能 预测 谷物 蛋白质语义 层级功能蛋白 蛋白质相互作用网络 

分 类 号：TP391.4[自动化与计算机技术—计算机应用技术]