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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 high-tech, dedicated method is applied to construct targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

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.