Session 7 – AI for Therapeutic Innovations
Date: 23 July (Thursday) 12:20 – 13:50 (GMT+8)
Venue: 701EF, 7F, TaiNEX2 / Online event platform
Speech title & Synopsis
Fujitsu is working on "IT-based drug discovery" to create novel drug candidates with computer. In this presentation, a practical example of designing small molecule inhibitors against CSF-1R (Colony Stimulating Factor-1 Receptor) with an original abstract fragment based de novo design approach and molecular dynamics simulation will be shown, together with a technology related to force field parameters which describes shape of molecules precisely. Further, a practical example of conformation analysis of Cyclosporin A with a new conformation analysis technology will be shown since drug discovery in middle sized molecules such as cyclic peptides is an attracting area for their particular properties against small molecules or antibodies, and it is known that the properties of a cyclic peptide depend on its conformation.