2016 Volume 15 Issue 3 Pages 129-138
In pharmaceutical research and development of drugs, discovering new drugs from a large number of potential alternatives (chemical compounds), which are theoretically as many as 1060, is an important challenge. Here the new-drug discovery process was explored through a case study on Rozerem from Takeda Pharmaceutical Company Limited. Although the recent mainstream approach is to generate and test a large number of alternatives using automation technologies, Rozerem was discovered through exploration of a small number of alternatives with rational chemical compound design, based on researchers’ experience and knowledge.
ABAS is supported by Grant-in-Aid for Publication of Scientific Research Results from the Japan Society for the Promotion of Science.