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

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 Reaxense.


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


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
Receptor.AI
 
UPACC
P23469

UPID:
PTPRE_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P23469; Q13345; Q5VWH3; Q5VWH4; Q96KQ6

BACKGROUND:
The Receptor-type tyrosine-protein phosphatase epsilon, with the UniProt accession number P23469, is integral to cellular signaling and function. It is involved in the regulation of red blood cell signaling pathways, osteoclast function, insulin receptor signaling in skeletal muscle, and FceRI-mediated signal transduction. This protein's diverse regulatory roles suggest its importance in maintaining cellular homeostasis and response to external stimuli.

THERAPEUTIC SIGNIFICANCE:
The intricate functions of Receptor-type tyrosine-protein phosphatase epsilon in cellular signaling pathways underscore its potential as a target for therapeutic intervention. By elucidating its mechanisms, novel approaches for treating diseases related to its regulatory functions could be developed, highlighting the importance of continued research in this area.

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