How we do it

How we do it

Our drug discovery process

1Analysis of the disease and target selection

A comprehensive analysis of the disease and its associated protein targets is performed by our team of experts.
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2AI CADD

Computational Aided Drug Design for the selection of compounds with ideal ADME-Tox and efficacy profiles.
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3Organic Synthesis

Compounds are synthesized by our team and synthesis routes optimized.
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4Experimental testing

Candidates are evaluated in in vitro tests for their pharmacodynamics and biochemical profile.
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Analysis of the disease and target selection ​

We are experts in identifying key biological mechanisms and molecular targets to guide therapeutic development. By combining advanced bioinformatics and molecular biology we pinpoint the root causes of diseases and their actionable pathways. Our team excels in evaluating disease pathology, prioritizing druggable targets, and leveraging cutting-edge technologies to accelerate drug discovery.

AI CADD

Our approach involves the implementation of solidly established computational methods and state-of-the-art machine learning-based implementations. We have an established track record of developing novel methodologies to enhance and accelerate in silico drug discovery campaigns.

Organic Synthesis

We specialize in constructing complex organic compounds through precise chemical reactions. Our expertise allows us to transform simple molecules into intricate structures, supporting advancements in pharmaceuticals, materials science, and biochemistry.

Experimental Testing

The experimental assessment involves the expression and purification of target proteins, evaluating the antiviral activity of the candidate, determining the mode of action of the hits, and assessing their pharmacokinetic properties, genotoxicity, and selectivity.
We have the ability to explore a vast chemical space, comprising hundreds of millions of molecules using proprietary machine learning models with a radical 40-fold reduction in computational costs.

1. Cavasotto & Aucar. Front. Chem. 8:246 (2020); 2. Scardino, Bollini, Cavasotto. RSC Adv. 11, 35383 (2021); 3. Lans et al. J. Comput. Aided. Mol. Des. 34, 1063 (2020); 4. Di Filippo, Bollini, Cavasotto. Front. Chem. 9:714678 (2021).

Our goal is to bring new drugs to the clinic through a highly optimized process by using in-house developed machine learning methods and in silico simulation and modeling.

Our primary focus is in neglected and emerging infectious diseases

From the 20 threats with more pandemic potential, stated by the World Health Organization, three are viruses from the Coronaviridae family: 

  • SARS-CoV-2 
  • SARS 
  • MERS

Two are viruses from the Flaviviridae family 

  • Zika 
  • Dengue (already endemic in America, and increasing)

Our aim is to find drugs against the whole virus family gathering efforts against several threats at the same time