Computer-driven discovery of novel molecules that block cancer PD-L1

Research Project

Project/Area Number	19K16313
Research Category	Grant-in-Aid for Early-Career Scientists
Allocation Type	Multi-year Fund
Review Section	Basic Section 47010:Pharmaceutical chemistry and drug development sciences-related
Research Institution	Kyoto University
Principal Investigator	Rakers Christin 京都大学, 薬学研究科, 特定講師 (70828772)
Project Period (FY)	2019-04-01 – 2021-03-31
Project Status	Granted (Fiscal Year 2019)
Budget Amount *help	¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000) Fiscal Year 2020: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000) Fiscal Year 2019: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Keywords	pharmacoinformatics / computing / molecular modeling / drug discovery
Outline of Research at the Start	The project includes the development and application of a new computer-based workflow that incorporates the creation of dynamics-based 3D models that enable virtual screening of chemical libraries to identify novel hit molecules against cancer PD-L1 which are planned to be experimentally validated.