AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Dual specificity protein phosphatase 2

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 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 use our state-of-the-art dedicated workflow for designing 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.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q05923

UPID:

DUS2_HUMAN

Alternative names:

Dual specificity protein phosphatase PAC-1

Alternative UPACC:

Q05923; Q53T45

Background:

Dual specificity protein phosphatase 2 (DSP2), also known as Dual specificity protein phosphatase PAC-1, plays a crucial role in cellular signaling by dephosphorylating both phosphorylated Thr and Tyr residues in MAPK1. Its ability to preferentially dephosphorylate phosphotyrosine over phosphothreonine underscores its unique specificity in modulating MAPK signaling pathways.

Therapeutic significance:

Understanding the role of Dual specificity protein phosphatase 2 could open doors to potential therapeutic strategies. Its pivotal function in MAPK signaling pathways suggests its potential as a therapeutic target in diseases where these pathways are dysregulated.

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