Osawa Masanori

オオサワ　マサノリ

Osawa Masanori

Faculty of Pharmacy Department of Pharmaceutical Sciences/Professor

Basic Information

Specialty

Structural biology, Drug discovery science integrating AI and structural biology

Researcher Number

60361606

Biography

Awards

Research

Reseach overview

In the Division of Physics for Life Functions, which I lead, our research aims to elucidate the molecular mechanisms underlying protein function based on their three-dimensional structures, and to develop novel therapeutics that modulate these functions. In particular, we focus on structure-based drug design by integrating AI-driven computational approaches with structural biology techniques, including NMR spectroscopy, cryo-electron microscopy, and X-ray crystallography. Most drugs exert their effects by binding to target proteins, and such interactions are governed by fundamental intermolecular forces such as hydrogen bonds, van der Waals interactions, and electrostatic interactions. In our laboratory, we analyze these interactions in detail to determine the binding modes of small molecules to proteins at atomic resolution. Through this approach, we aim to answer the fundamental question of “why a drug works” at the molecular level. The insights obtained are then used to rationally design compounds with improved potency and selectivity. Our research follows an integrated workflow that includes preparation of target proteins, identification of binding compounds, prediction of candidate molecules using AI and computational methods, experimental evaluation of binding, structural determination of protein–ligand complexes, and subsequent optimization of molecular structures. By combining computational science, experimental biophysics, and structural analysis, we seek to establish novel strategies for targeting protein–protein interactions (PPIs) and protein–nucleic acid interactions, which have traditionally been considered challenging targets in drug discovery. Current research topics include: Development of inhibitors targeting protein interactions involved in viral infection Therapeutic development for neurodegenerative diseases such as ALS based on RNA-binding protein analysis Development of anticancer agents targeting transcriptional and translational regulators These studies focus on the precise modulation of protein–protein and protein–nucleic acid interactions, representing a new frontier in drug discovery beyond conventional small-molecule approaches. A distinctive feature of our laboratory is the integration of AI-based drug discovery with structural biology, enabling us to understand biological phenomena at the molecular level and directly translate this knowledge into therapeutic development. Through this interdisciplinary approach, we aim to contribute to the establishment of next-generation drug discovery strategies.