Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase CYLD

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed 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.


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


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9NQC7

UPID:
CYLD_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme CYLD; Ubiquitin thioesterase CYLD; Ubiquitin-specific-processing protease CYLD

ALTERNATIVE UPACC:
Q9NQC7; O94934; Q7L3N6; Q96EH0; Q9NZX9

BACKGROUND:
The protein Ubiquitin carboxyl-terminal hydrolase CYLD, with alternative names such as Ubiquitin thioesterase CYLD, is integral in deubiquitinating upstream signaling factors, thereby negatively regulating NF-kappa-B activation. Its functions extend to inhibiting Wnt signaling and promoting acetylation of alpha-tubulin, which stabilizes microtubules. CYLD's involvement in cell cycle progression and cytokinesis further illustrates its critical role in cellular homeostasis.

THERAPEUTIC SIGNIFICANCE:
Given CYLD's association with familial cylindromatosis, multiple familial trichoepithelioma 1, Brooke-Spiegler syndrome, and frontotemporal dementia and/or amyotrophic lateral sclerosis 8, its study offers promising avenues for therapeutic intervention. The elucidation of CYLD's mechanisms could lead to groundbreaking treatments for these diseases.

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