Development Of Database And Computational Methods For Disease Detection And Drug Discovery

Abstract

Bioinformatics and cheminformatics tools have been developed to increase the efficiency of pharmaceutical research and development. Several computational approaches facilitating disease detection and drug discovery are presented in this thesis. Through database development of microbial pathogen diagnostic methods and database update of therapeutic targets, it helps investigate the mechanism of disease, detection and treatment of disease, and drug discovery. Various software tools have been intensively explored and developed for the application of virtual screening. In this thesis, SVM based virtual screening tools have been evaluated to work efficiently in searching Src and VEGFR-2 inhibitors from large compound libraries at low false-hit rates. To further verify the screening models, the virtual hits of models have been tested experimentally. These projects facilitate drug discovery by reducing the cost and time in developing novel drug lead.