AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Receptor-type tyrosine-protein phosphatase alpha

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

P18433

UPID:

PTPRA_HUMAN

Alternative names:

-

Alternative UPACC:

P18433; A8K2G8; D3DVX5; Q14513; Q7Z2I2; Q96TD9

Background:

Receptor-type tyrosine-protein phosphatase alpha plays a pivotal role in integrin-mediated focal adhesion formation. It orchestrates the assembly of key signaling molecules such as BCAR3, BCAR1, and CRK at focal adhesions, facilitating SRC-mediated phosphorylation of BRAC1. This cascade activates PAK and the small GTPases RAC1 and CDC42, crucial for cell movement and signaling.

Therapeutic significance:

Understanding the role of Receptor-type tyrosine-protein phosphatase alpha could open doors to potential therapeutic strategies. Its involvement in critical signaling pathways offers a promising avenue for targeting diseases where cell adhesion and migration are factors.

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