AI-ACCELERATED DRUG DISCOVERY

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

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q15256

UPID:

PTPRR_HUMAN

Alternative names:

Ch-1PTPase; NC-PTPCOM1; Protein-tyrosine phosphatase PCPTP1

Alternative UPACC:

Q15256; B2R5Z7; B7Z3J1; F5GXR7; O00342; Q92682; Q9UE65

Background:

Receptor-type tyrosine-protein phosphatase R, known by alternative names such as Ch-1PTPase, NC-PTPCOM1, and Protein-tyrosine phosphatase PCPTP1, plays a crucial role in cellular signaling. It sequesters MAPKs including MAPK1, MAPK3, and MAPK14 in the cytoplasm, maintaining them in an inactive state. Activation and nuclear translocation of these MAPKs are regulated through phosphorylation by the protein kinase A complex.

Therapeutic significance:

Understanding the role of Receptor-type tyrosine-protein phosphatase R could open doors to potential therapeutic strategies.

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