Prof. Kenji Mizuguchi, PhD
National Institute of Biomedical Innovation, Osaka University, JAPAN.
Plenary Talk Title: Computational systems approaches to drug discovery and development
Abstract: Several reasons can be attributed to costly late-phase attritions in drug development but the “wrong target” and the “wrong compound” are the main culprits. Computational methods can improve target identification and validation at an early stage of drug development by providing a better understanding of the biology of the target network. Similarly, predicting the toxicity (as well as the pharmacokinetic profile) of a new compound should help avoid unexpected adverse events. To establish systems approaches to drug discovery, we have developed an integrated database for genes, proteins, diseases and chemical compounds. Using our TargetMine system (http://targetmine.mizuguchilab.org), an integrated data warehouse for target prioritization, we have identified genes/proteins that would play key roles in infectious and pulmonary diseases and subsequently verified these hypotheses by direct experimentation. We have also developed a toxicogenomics analysis platform (Toxygates and the Adjuvant database; http://toxygates.nibiohn.go.jp). Based on these and other databases, machine-learning models can be built for predicting protein structure, function and interaction. In my talk, I will describe some of these resources, with specific applications in target discovery, safety prediction and pharmacokinetic modelling.