At Aptuit we can provide hit identification (hit ID) services combining key capabilities from numerous disciplines including: Computational chemistry, Medicinal chemistry, DMPK, Pharmacology and Analytical Sciences. Alternative hit ID capabilities are available using a variety of virtual screening approaches combined with in-silico modeling and data mining. Hits can be rapidly evaluated based on a series of experimental data including:
- Structure ID and purity determination
- Ligand/target interaction determination, in vitro activity and MoA
- In vitro selectivity and specificity
- Analysis of chemical tractability
- Hit expansion by prospective chemistry
- In vitro blood and tissue binding
- Preliminary in vitro DMPK profiling
A wide range of services can also provide support during the phase of assay generation (functional and biochemical) including the generation of biological reagents and cell lines. Capabilities are also available to perform medium and high throughput screening.
The following disciplines support stand alone or integrated services for Hit Identification: