AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 our partner 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 utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q13362

UPID:

2A5G_HUMAN

Alternative names:

PP2A B subunit isoform B'-gamma; PP2A B subunit isoform B56-gamma; PP2A B subunit isoform PR61-gamma; PP2A B subunit isoform R5-gamma; Renal carcinoma antigen NY-REN-29

Alternative UPACC:

Q13362; B4DYJ8; B5BUA5; F5GWP3; Q14391; Q15060; Q15174; Q6ZN33

Background:

The Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform, known by alternative names such as PP2A B subunit isoform B'-gamma and Renal carcinoma antigen NY-REN-29, plays a pivotal role in cellular processes. It modulates substrate selectivity and catalytic activity, directing the localization of the catalytic enzyme to specific subcellular compartments. The PP2A-PPP2R5C holoenzyme is crucial for dephosphorylating and activating TP53, thereby playing a role in DNA damage-induced inhibition of cell proliferation and regulating the ERK signaling pathway through ERK dephosphorylation.

Therapeutic significance:

Understanding the role of Serine/threonine-protein phosphatase 2A 56 kDa regulatory subunit gamma isoform could open doors to potential therapeutic strategies.

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