Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


Our top-notch dedicated system is used to design specialised libraries.


 

Fig. 1. The screening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.


PARTNER
Receptor.AI
 
UPACC
P26367

UPID:
PAX6_HUMAN

ALTERNATIVE NAMES:
Aniridia type II protein; Oculorhombin

ALTERNATIVE UPACC:
P26367; Q6N006; Q99413

BACKGROUND:
The Paired box protein Pax-6, known alternatively as Aniridia type II protein or Oculorhombin, is crucial for eye, nose, CNS, and pancreas development. It competes with PAX4 in binding to elements in the glucagon, insulin, and somatostatin promoters, and is vital for pancreatic islet alpha cell differentiation. Pax-6 also determines ventral neuron subtype specification and represses NFATC1-mediated gene expression.

THERAPEUTIC SIGNIFICANCE:
Linked to diseases such as Aniridia, Anterior segment dysgenesis, Foveal hypoplasia, Hereditary Keratitis, Ocular coloboma, Coloboma of optic nerve, and Bilateral optic nerve hypoplasia, Pax-6's involvement in these conditions underscores its therapeutic potential. Exploring Pax-6's role could lead to innovative treatments for these ocular diseases, offering hope for improved patient outcomes.

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