The following image shows interactions between the High Throughput Screening (green), Biomedical Informatics (yellow) and Synthetic and Biopolymer Chemistry (purple).
Experimental screenings performed in the Highthroughput ScreeningCore complement virtual screenings carried out by the Biomedical Informatics Core toward identifying “hits” for biomolecular targets of interest.
Confirmed hits, also known as leads, identified through screenings are used as starting points for chemists in the Synthetic and Biopolymer Chemistry Core for designing focused libraries.
Molecular modeling expertise in the Biomedical Informatics Core aids the design process.
Chemists synthesize the focused libraries accordingly, which in turn are tested by high throughput screening.
Structure-activity relationship analysis is then carried out to evaluate newly synthesized compounds using appropriate in vitro or cell-based assays.
Iterative cycles of interactions of the three cores will speed up the “lead optimization” process and move the project forward.