Hit to lead – IC50/LD50 studies

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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

In silico ADMET

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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.

Cell-based drug screening

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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

AI Driven Virtual Screening

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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 …