AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Catenin alpha-1

Available from Reaxense
Predicted by Alphafold

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 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 utilise our cutting-edge, exclusive workflow to develop focused 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 stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P35221

UPID:

CTNA1_HUMAN

Alternative names:

Alpha E-catenin; Cadherin-associated protein; Renal carcinoma antigen NY-REN-13

Alternative UPACC:

P35221; Q12795; Q8N1C0

Background:

Catenin alpha-1, also known as Alpha E-catenin, plays a pivotal role in cell adhesion by associating with the cytoplasmic domain of cadherins to form a complex linked to the actin filament network. This interaction is crucial for the cell-adhesion properties of cadherins. Catenin alpha-1 is involved in the regulation of several key pathways, including those of WWTR1/TAZ, YAP1, and TGFB1-dependent SMAD2 and SMAD3 nuclear accumulation, highlighting its importance in cell differentiation.

Therapeutic significance:

Catenin alpha-1's involvement in Macular dystrophy, patterned, 2, a retinal disorder, underscores its potential as a target for therapeutic intervention. Understanding the role of Catenin alpha-1 could open doors to potential therapeutic strategies.

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