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.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We utilise our cutting-edge, exclusive workflow to develop focused 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 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
Q8WVY7

UPID:
UBCP1_HUMAN

ALTERNATIVE NAMES:
Nuclear proteasome inhibitor UBLCP1

ALTERNATIVE UPACC:
Q8WVY7; D3DQJ7; Q96DK5

BACKGROUND:
The protein Ubiquitin-like domain-containing CTD phosphatase 1, known as UBLCP1, is instrumental in regulating the 26S proteasome's proteolytic activity. By dephosphorylating components of the proteasome, UBLCP1 decreases its activity, affecting various cellular processes. This regulation is crucial for maintaining cellular homeostasis and protein degradation.

THERAPEUTIC SIGNIFICANCE:
Exploring the mechanisms by which UBLCP1 influences proteasome activity offers a promising avenue for therapeutic intervention. Given its central role in proteasome regulation, targeting UBLCP1 could provide novel approaches in treating conditions associated with proteasome dysregulation.

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