Big Drug Design Mechanisms via Systems Biology and Big Database Mining

Innovative drug design focuses on new drug targets. Unlike magic bullets targeting a single disease-causing molecule, a systems drug design is proposed in this chapter to develop multiple drug targets for multiple-target cocktail therapies. First, based on computational models, a systems drug discovery scheme is introduced using database mining and high-throughput data, including the validation of drug targets via cross-referencing of experimental data, pharmacogenomics, polymorphism haplotyping, and the understanding of drug metabolism and toxicity. Next, based on the carcinogenesis relevance value, we investigated the common core and specific network marker of four cancers for multiple drug targets with the aim of suggesting potential and relevant medical therapy for cancer. Finally, based on 28 significant proteins of core network markers in the carcinogenesis of four cancers, a systems drug design mechanism is introduced to select multiple drug targets for multiple-target cocktail therapies.