AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Paired box protein Pax-6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse biological functions.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P26367

UPID:

PAX6_HUMAN

Alternative names:

Aniridia type II protein; Oculorhombin

Alternative UPACC:

P26367; Q6N006; Q99413

Background:

Paired box protein Pax-6, also known as Aniridia type II protein or Oculorhombin, plays a pivotal role in the development of the eye, nose, central nervous system, and pancreas. It functions as a transcription factor essential for the differentiation of pancreatic islet alpha cells and regulates the specification of ventral neuron subtypes by establishing progenitor domains. Additionally, Pax-6 acts as a transcriptional repressor of NFATC1-mediated gene expression.

Therapeutic significance:

Pax-6 is implicated in a spectrum of ocular disorders, including Aniridia, Anterior segment dysgenesis, Foveal hypoplasia, Keratitis hereditary, Ocular coloboma, Coloboma of optic nerve, and Bilateral optic nerve hypoplasia. Understanding the role of Pax-6 could open doors to potential therapeutic strategies for these conditions, highlighting its significance in ocular disease treatment and management.

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