基于复小波能量谱的蛋白质活性位点识别新方法  

A Unique Method to Identify Protein Active Sites Based on Energy Scalogram of Complex Wavelet Transform

作　　者：田元新[1] 段文军[1] 邹小勇[2] 

机构地区：[1]南方医科大学药学院,广州510515 [2]中山大学化学与化学工程学院,广州510275

出　　处：《化学学报》2010年第24期2595-2599,共5页Acta Chimica Sinica

基　　金：国家自然科学基金(Nos.20975117;30772602;81001423);南方医科大学人才引进科研启动基金(No.B1000371)资助项目

摘　　要：蛋白质活性位点的识别对于理解蛋白质的功能及计算机辅助药物设计具有重要的意义.基于复小波能量谱建立蛋白质活性位点识别新方法,采用Morlet复小波对数字化的蛋白质序列进行一维连续小波变换.结果表明,通过时-频分析,能量集中区域往往与蛋白质的活性位点具有密切联系,并且同源蛋白质序列的复小波能量最大值通常分布于相同的频率处,表明小波功率谱在预测蛋白质活性位点方面具有广阔的应用前景.Identification of protein active sites is important to understand the function of protein and it is also crucial to the computer assistant drug design.In this paper,a unique method is presented to identify protein active sites based on time-frequency analysis by continuous wavelet transform（CWT）.The numeric protein sequences are transformed by Morlet complex wavelet and protein active sites can be identified according to the energy scalogram.The results from hemoglobin and calcium binding protein indicate that the energy maximum of homologous proteins always appears in the same frequency,which is the characteristic frequency.In the energy scalogram,the time domain corresponding to characteristic frequency is the active sites of protein.The concentrated domains of energy are the critical domains of protein,which usually are conservative for homologous protein.Energy center can be utilized to identify active sites of protein.The proposed method has a potential to explore the function of protein.

关 键 词：小波能量谱 活性位点 蛋白质 

分 类 号：Q51[生物学—生物化学]