Focused On-demand Libraries - Receptor.AI 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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
P29033

UPID:
CXB2_HUMAN

ALTERNATIVE NAMES:
Connexin-26

ALTERNATIVE UPACC:
P29033; Q508A5; Q508A6; Q5YLL0; Q5YLL1; Q5YLL4; Q6IPV5; Q86U88; Q96AK0; Q9H536; Q9NNY4

BACKGROUND:
The Gap junction beta-2 protein, or Connexin-26, is integral to the formation of gap junctions, facilitating the intercellular exchange of ions and small molecules. This protein's function underscores the importance of cellular communication in maintaining physiological homeostasis.

THERAPEUTIC SIGNIFICANCE:
Mutations in Connexin-26 are linked to a spectrum of disorders, notably autosomal recessive and dominant forms of deafness and skin diseases such as Keratoderma. The exploration of Gap junction beta-2 protein's involvement in these diseases presents a promising avenue for the discovery of novel therapeutic interventions, potentially revolutionizing treatment paradigms.

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