摘要： 准确预测G蛋白质偶联受体(GPCR)是否与药物(Drug)相互作用是新药开发的关键步骤之一。从时间和费用方面来说,通过生物实验的方法来确定GPCR-Drug是否相互作用的代价是昂贵的。因此,直接从蛋白质序列出发预测GPCR-Drug的相互作用具有重要的意义。提出了一种基于序列的GPCR-Drug相互作用预测方法:从蛋白质序列抽取进化信息特征；对药物抽取指纹特征；基于上述两种特征,使用基于证据理论的K近邻算法进行分类预测。在标准数据集上的实验结果表明了所述方法的有效性。
| [1] Tilley D G.G protein-dependent and G protein-independent signaling pathways and their impact on cardiacfunction [J].Circ Res,2011,9(2):217-230 [2] Alexander S P,Mathie A,Peters J A.Guide to Receptors and Channels(GRAC) [J].Br J Pharmacol,2011,4(supp.1):S1-324 [3] Knowles J,Gromo G.A guide to drug discovery:Target selection in drug discovery[J].Nat Rev Drug Discov,2003,2(1):63-69 [4] Chou K C.Review:Structural bioinformatics and its impact to biomedical science[J].Current Medicinal Chemistry,2004,1(16):2105-2134 [5] OZhu S,Okuno Y,Tsujimoto G,et al.A probabilistic modelformining implicit ‘chemical compound-gene’ relations from li-terature[J].Bioinformatics,2005,1(2):245-251 [6] Yamanishi Y,Araki M,Gutteridge A,et al.Prediction of drug-target interaction networks from the integration of chemicaland genomic spaces[J].Bioinformatics,2008,4(13):232-240 [7] Chou K C,Shen H B.Review:recent advances in developingWeb-servers for predicting protein attributes[J].Natural Science,2009,1(2):63-92 [8] Zouhal L M,Denoeux T.An evidence-theoretic KNN rule with parameter optimization[J].IEEE Transactions on Systems,Man and Cybernetics,1998,8(2):263-271 [9] Xuan Xiao,Jian-Liang Min,Pu Wang,et al.iGPCR-Drug:A Web Server for Predicting Interaction between GPCRs and Drugs in Cellular Networking [J].PLoSONE,2013,8(8):e72234 [10] O’Boyle N M,Banck M,James C A,et al.Open Babel:An open chemical toolbox[J].J Cheminform,2011,3(33) [11] Schaffer A A.Improving the accuracy of PSI-BLASTprotein database searches with composition-based statistics and other refinements[J].Nucleic Acids Res,2011,29(14):2994-3005 [12] Liu T,et al.Accurate prediction of protein structural class using auto covariance transformation of PSI-BLAST profiles[J].Amino Acids,2012,42(6):2243-2249 [13] Denoeux T.A k-nearest neighbor classification rule based onDempsterShafer theory[J].IEEE Transactions on Systems Man and Cybernetics,1995,25(5):804-813 [14] He Z,Zhang J,Shi XH,et al.Predicting drug-target interaction networks based on functional groups and biological features[J].PLoSONE,2010,5(3):e9603 |
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