AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit alpha

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 our partner Reaxense.

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.

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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q06190

UPID:

P2R3A_HUMAN

Alternative names:

PP2A subunit B isoform PR72/PR130; PP2A subunit B isoform R3 isoform; PP2A subunit B isoforms B''-PR72/PR130; PP2A subunit B isoforms B72/B130; Serine/threonine-protein phosphatase 2A 72/130 kDa regulatory subunit B

Alternative UPACC:

Q06190; A8KAE7; B4DNU1; B7ZAE3; Q06189; Q9NPQ5

Background:

The Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit alpha, known by alternative names such as PP2A subunit B isoform PR72/PR130, plays a crucial role in cellular function. It modulates substrate selectivity and catalytic activity, directing the localization of the catalytic enzyme to specific subcellular compartments.

Therapeutic significance:

Understanding the role of Serine/threonine-protein phosphatase 2A regulatory subunit B'' subunit alpha could open doors to potential therapeutic strategies.

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