Focused On-demand Libraries - Receptor.AI 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 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.


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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
O14818

UPID:
PSA7_HUMAN

ALTERNATIVE NAMES:
Proteasome subunit RC6-1; Proteasome subunit XAPC7

ALTERNATIVE UPACC:
O14818; B2R515; Q5JXJ2; Q9BR53; Q9H4K5; Q9UEU8

BACKGROUND:
The Proteasome subunit alpha type-7, known alternatively as Proteasome subunit RC6-1 or XAPC7, is integral to the 20S core proteasome complex, facilitating the breakdown of most intracellular proteins. It ensures protein homeostasis by associating with regulatory particles for ATP-dependent and independent degradation pathways. Its functions extend to inhibiting HIF-1A transactivation, aiding in hepatitis C virus translation, and enhancing androgen-mediated transactivation through nuclear translocation of the androgen receptor.

THERAPEUTIC SIGNIFICANCE:
Exploring the functionalities of Proteasome subunit alpha type-7 unveils potential avenues for therapeutic intervention.

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