​​​Our Expertise

• Specialist expertise in computational, structural and molecular biology with the background of managing gold standard software and equipment (X-Ray Crystallography, Cryo-EM and molecular docking)

• We use the state-of-the-art software and computational power for approaching all the steps of in silico drug discovery development

Key Services

• Searching of the correct protein targets of your known and tested active drug, increasing assay accuracy and promoting the future drug modifications according with its binding site and the 3D-Pharmacophore information obtained

• Exploring a pathway of interest for testing your small molecules, envisioning their putative targets and focusing on its interactions, saving time costs of non-focused test assays

• Searching for the drug that could interact with your defined protein of interest by using public and private small molecules database and performing rational high-throughput in silico docking analysis
  

Database Curation & Molecular Docking

Pathway exploration and analysis

We perform a comprehensive pathway analysis, a crucial step toward a complete understanding of the relevant data in every precise biological process, converting a list of interconnected proteins into a map of weighted and directed interactions describing molecular processes.

Target identification and evaluation

In the context of a targeted disease, we leverage an advanced artificial intelligence (AI) system to rank all associated genes. Our approach involves evaluating their potential as putative drug targets, distinguishing between structural and non-active proteins and the active ones.

We place these proteins in their respective steps along the biological pathway ladder, unravelling their interactions and pinpointing the most crucial ones.

This meticulous process results in a refined shortlist of the most promising and druggable targets.

Precision drug design through ligand and structure integration

Artificial intelligence can design novel molecules for any available target structure or small molecule ligand, creating and testing novel scaffolds across the desired properties and optimizing binding affinity