Ongoing projects

Computational and systems approaches to early stage drug discovery

Computational methods can potentially improve target identification and validation at the earliest possible stage of drug development by providing a better understanding of the biology of the target network. Such a knowledge should also lead to new therapeutic strategies based on molecular mechanisms.

Discovery of drug targets

Our goal is to discover novel drug targets by utilizing cutting-edge techniques in bioinformatics and computational biology.

Development of AI for discovery of drug targets
Development of databases for prioritization and evaluation of novel drug targets

New therapeutic strategies based on molecular mechanisms

Our research is aimed at accelerating drug discovery by computational approaches towards a systems-level understanding of biological molecules, their reactions and diseases. We have successfully identified and designed compounds with physiological activities based solely on in silico prediction. Also we are developing a range of computational biology techniques, utilizing information about protein sequence, structure and interaction.

◾Development of in silico screening methods
See the Center for Drug Design Research(CDDR) page
Prediction of protein-protein interactions with an application to breast cancer therapies
Enzyme structures and functions

Biomarker discovery and toxicity prediction

We are developing databases for biomarker discovery and toxicity prediction.

Development of a pharmacokinetics database and prediction models
An Integrated Platform for Toxicogenomics Data Analysis
The Adjuvant Database Project


Other projects

Investigating the relationships between gut microbiota and life style: the development of an integrated analysis platform
Large-scale data integration (in collaboration with the NBDC)


Finished projects


Development of an international pharmaceutical innovation value chain for in silico drug discovery
Development of a novel method for modelling dynamic structures of membrane proteins
High throughput algorithms for predicting specificity in regulatory interactions