AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Serine/threonine-protein phosphatase 2A catalytic subunit beta 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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.

Our library is unique due to several crucial aspects:

  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

P62714

UPID:

PP2AB_HUMAN

Alternative names:

-

Alternative UPACC:

P62714; D3DSV4; P11082; Q6FHK5

Background:

The Serine/threonine-protein phosphatase 2A catalytic subunit beta isoform, encoded by the gene with accession number P62714, plays a pivotal role in cellular processes. It acts as the catalytic subunit of protein phosphatase 2A (PP2A), a serine/threonine phosphatase. PP2A is integral in regulating enzymes, signal transduction pathways, and various cellular events, suggesting its broad impact on cellular function and health.

Therapeutic significance:

Understanding the role of Serine/threonine-protein phosphatase 2A catalytic subunit beta isoform could open doors to potential therapeutic strategies. Its involvement in a wide array of cellular processes makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits.

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