A current focus of a Drug discovery division (DDD) is to extend and apply the methodologies and software tools of molecular modeling for the drug discovery, especially the ‘Hit-to-Lead’ technology. It incorporates a protein structure building,
a pharmacophore search, a virtual screening, a diversity analysis, QSAR, in silico ADME/ Tox. & PK, and so on.
We provide clear understanding and insights from the pharmaceutical research data through these technologies.
We will be an able research group that can support the drug discovery process through correct understanding the principles
behind the complex biological pathways. The drug discovery and development requires many supporting data including
biological activities, adequate physical properties, and many other data. Obtaining essential data is important, but too many
data can confuse the researcher. We need an adequate discrimination method to obtain useful data, which can help
researchers reducing time and money for drug discovery and development.
We utilize several drug discovery techniques, Protein structure building using homology modeling Virtual screening using docking and pharmacophore search Prioritization of compounds from various databases Diversity analysis of chemical library Quantitative structure activity relationship (QSAR) Data mining methods De novo design based on the protein structure Rational library Design based on the Property based design approach In silico prediction of ADME properties using the preADME which developed in-house at the BMD In silico prediction of pharmacokinetic parameters (bioavailability, volume of distribution,
hepatic clearance, urinary excretion, etc.)
Drug Discovery 
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Protein structure building using homology modeling
