Focused On-demand Library for Ubiquitin thioesterase ZRANB1

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
Q9UGI0

UPID:
ZRAN1_HUMAN

ALTERNATIVE NAMES:
TRAF-binding domain-containing protein; Zinc finger Ran-binding domain-containing protein 1

ALTERNATIVE UPACC:
Q9UGI0; B4DZ98; D3DRF4; Q5SQP6; Q69YK3

BACKGROUND:
The Ubiquitin thioesterase ZRANB1, recognized for its alternative names TRAF-binding domain-containing protein and Zinc finger Ran-binding domain-containing protein 1, is crucial for ubiquitin-mediated cellular regulation. It efficiently hydrolyzes 'Lys-29'- and 'Lys-33'-linked diubiquitin, and to a lesser extent, 'Lys-63'-linked chains. ZRANB1 enhances the Wnt signaling pathway by deubiquitinating APC protein. Additionally, it plays a significant role in autophagy by deubiquitinating PIK3C3/VPS34, which is essential for autophagosome maturation, and contributes to the regulation of cell morphology and migration.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Ubiquitin thioesterase ZRANB1 could open doors to potential therapeutic strategies.

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