Medium throughput cell-based studies to determine the IC50 and LD50 of candidate hits and to select and prioritize the most potent and less toxic ones. IC50/LD50 studies can be conducted on healthy or pathological models. Assay development available
Prediction tools for structure-based calculation of pharmacokinetic properties related to absorption, distribution, metabolism, and excretion (ADME). From the chemical structure of a compound, it is possible to predict parameters as blood-brain barrier penetration, cytochrome P450 interaction, oral bioavailability, passive absorption, P-glycoprotein specificity, solubility, sites of metabolism etc.
Candidate drugs are analysed by substructure to determine functional and cytotoxic residues, selective and non-selective binding sites. Such insight can be used to produce and screen multiple sub-generations of improved derivate compounds.
Medium and high throughput platforms to screen and select the best candidates within chemical libraries of any source. The readouts employed span from viability/functional/morphological ones to target activation assays. Screening campaigns can be conducted on healthy or pathological models. Assay development available
Biophysical techniques as Surface Plasmon Resonance (SPR) allow to measure in a competitive or non-competitive fashion target binding of candidate drugs with dose-response and high-throughput settings.
AI driven virtual screening platform designed to find candidate molecules with larger chemical diversity. In particular, a field-based virtual screening software uses a 3D representation of molecules based on electrostatic, steric and hydrophobic interaction fields derived from semi-empirical Quantum-Mechanics calculations. Such fields describe with high accuracy the factors that determine ligand / receptor interactions. This approach allows to identify candidate …