Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.


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
Q15121

UPID:
PEA15_HUMAN

ALTERNATIVE NAMES:
15 kDa phosphoprotein enriched in astrocytes; Phosphoprotein enriched in diabetes

ALTERNATIVE UPACC:
Q15121; B1AKZ3; O00511

BACKGROUND:
The Astrocytic phosphoprotein PEA-15, with alternative names such as 15 kDa phosphoprotein enriched in astrocytes and phosphoprotein enriched in diabetes, is crucial for various cellular mechanisms. It inhibits the Ras-mediated inhibition of integrin activation, modulates the ERK MAP kinase cascade, and retains RPS6KA3 in the cytoplasm. Furthermore, it plays a role in apoptosis by inhibiting CASP8 activity and regulates glucose transport by affecting SLC2A1 and SLC2A4.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Astrocytic phosphoprotein PEA-15 reveals its potential in developing therapeutic interventions. Its critical role in apoptosis and glucose transport regulation highlights its importance in disease mechanisms and treatment opportunities.

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