Focused On-demand Library for Epithelial membrane protein 2

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening 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.


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
P54851

UPID:
EMP2_HUMAN

ALTERNATIVE NAMES:
Protein XMP

ALTERNATIVE UPACC:
P54851; B2R7V6; D3DUF8

BACKGROUND:
The protein Epithelial membrane protein 2, with alternative name Protein XMP, is a key regulator of cell membrane dynamics, impacting cell migration, proliferation, and adhesion. It plays a significant role in the formation of lipid rafts, regulation of caveolae formation, and modulation of cell surface expression of various proteins. EMP2's function extends to influencing angiogenesis, cell death, and embryonic development through its interaction with several signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Given EMP2's critical role in Nephrotic syndrome 10, a disease marked by focal segmental glomerulosclerosis and severe proteinuria, targeting EMP2 could offer a promising avenue for therapeutic intervention. Exploring EMP2's functions further could unveil new opportunities for drug development in renal diseases and beyond.

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