swMATH ID: 22455
Software Authors: Min, J. L.; Xiao, X.; Chou, K. C.
Description: iEzy-drug: a web server for identifying the interaction between enzymes and drugs in cellular networking. With the features of extremely high selectivity and efficiency in catalyzing almost all the chemical reactions in cells, enzymes play vitally important roles for the life of an organism and hence have become frequent targets for drug design. An essential step in developing drugs by targeting enzymes is to identify drug-enzyme interactions in cells. It is both time-consuming and costly to do this purely by means of experimental techniques alone. Although some computational methods were developed in this regard based on the knowledge of the three-dimensional structure of enzyme, unfortunately their usage is quite limited because three-dimensional structures of many enzymes are still unknown. Here, we reported a sequence-based predictor, called ”iEzy-Drug,” in which each drug compound was formulated by a molecular fingerprint with 258 feature components, each enzyme by the Chou’s pseudo amino acid composition generated via incorporating sequential evolution information and physicochemical features derived from its sequence, and the prediction engine was operated by the fuzzy K-nearest neighbor algorithm. The overall success rate achieved by iEzy-Drug via rigorous cross-validations was about 91
Homepage: https://www.ncbi.nlm.nih.gov/pubmed/24371828
Related Software: iRSpot-PseDNC; iCDI-PseFpt; iSNO-PseAAC; iRSpot-TNCPseAAC; iNuc-PhysChem; iNuc-PseKNC; iSNO-AAPair; iHSP-PseRAAAC; propy; AAindex; PseAAC-Builder; PseAAC; iLoc-Hum; Cell-PLoc; LIBSVM; iMethyl-PseAAC; iLoc-Euk; iCTX-Type; PseAAC-General; Signal-CF
Cited in: 15 Publications

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