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Pharma Chem Congress 2019 Journal of Pharmaceutical Chemistry & Chemical Science | Volume 3
June 12-13, 2019 | Bangkok, Thailand
OF EXCELLENCE
IN INTERNATIONAL
MEETINGS
YEARS
PHARMACEUTICAL
CHEMISTRY AND DRUG DISCOVERY
2nd International Conference on
J Pharm Chem Chem Sci 2019, Volume 3
PHARMA CHEMISTS, CAN YOU COLLABORATE WITH OUR BIOINORGANIC HYBRID SYS-
TEMS USING AI?
Takashiro Akitsu
Tokyo University of Science, Japan
Recently, author has published new bioinorganic hybrid materials composed of Schiff base complexes and lac-
case (Ametalloprotein to reduce molecular oxygen to water). In recent conference, he was presented molecular
design and preliminary data of new Cu(II/I) or Mn(III/II) Schiff base complexes having redox active (anthraquinone)
ligands and photochromic (azobenzene) ligands by means of electrochemical and computational methods (DFT
calculations and docking simulation of protein-ligand employed in drug chemistry commonly). Thus, not only
experimental methods but also computational methods may be useful to develop such bioinorganic materials.
Furthermore, to decrease empirical trial-and-error using high-cost biomolecules as well as to realize sophisticated
molecular design beyond the computational method or crystal structure database, he would like to employ AI
(machine learning) for searching and prediction in bioinorganic studies.