AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Tyrosine-protein phosphatase non-receptor type 1

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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.

Our top-notch dedicated system is used to design specialised 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.

Our library stands out due to several important features:

  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P18031

UPID:

PTN1_HUMAN

Alternative names:

Protein-tyrosine phosphatase 1B

Alternative UPACC:

P18031; Q5TGD8; Q9BQV9; Q9NQQ4

Background:

Tyrosine-protein phosphatase non-receptor type 1, also known as Protein-tyrosine phosphatase 1B, plays a pivotal role in regulating the endoplasmic reticulum unfolded protein response. It achieves this by mediating the dephosphorylation of EIF2AK3/PERK, thereby inactivating its protein kinase activity. This protein is also involved in signal transduction cascades induced by CKII and p60c-src, and may influence the EFNA5-EPHA3 signaling pathway, affecting cell reorganization and cell-cell repulsion. Additionally, it has a role in modulating the hepatocyte growth factor receptor signaling pathway through MET dephosphorylation.

Therapeutic significance:

Understanding the role of Tyrosine-protein phosphatase non-receptor type 1 could open doors to potential therapeutic strategies.

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