AI-powered
drug design
accelerating discovery
NAIAD is a drug discovery startup creating novel bioactive small molecules targeting G-protein coupled receptors (GPCRs). NAIAD’s computational simulation and deep learning-based platform leverages structural biological information to virtually screen billions of molecules in search of the most advanced and effective treatments for a wide range of diseases, from oncology to neuropsychiatry.
Mastering GPCR Dynamics
GPCRs exhibit highly dynamic behaviors, adopting multiple conformations that ligands selectively bind to, influencing either activation or inactivation of GPCR signals. Our platform leverages state-of-the-art physics-based simulations, including Molecular Dynamics and Free-Energy calculations, to navigate these complexities. By exploring the conformational ensembles of GPCRs, we can identify and select the conformations most likely to produce the desired biological effects.
Advancing Chemical Space Exploration
at a fraction of the cost + time
We have developed an extensive in-house database containing over 30 billion theoretical small molecules, each mapped and structured for efficient searching. This enables our partners to synthesize selected molecules rapidly, significantly reducing both costs and synthesis time. Our innovative approach streamlines the drug discovery process, enhancing efficiency and productivity at every stage.
Molecules tested in silico
>30 b
Molecules synthesized and validated
in vitro
30 -150
Success rate (actives)
30 - 25%
Actives initial potency