Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 29

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.


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

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 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
Q9HBJ7

UPID:
UBP29_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 29; Ubiquitin thioesterase 29; Ubiquitin-specific-processing protease 29

ALTERNATIVE UPACC:
Q9HBJ7

BACKGROUND:
Ubiquitin carboxyl-terminal hydrolase 29, known by alternative names such as Deubiquitinating enzyme 29, Ubiquitin thioesterase 29, and Ubiquitin-specific-processing protease 29, is integral to the body's defense against viruses. It specifically mediates the 'Lys-48'-linked deubiquitination of CGAS, enhancing its stability and promoting an effective antiviral response.

THERAPEUTIC SIGNIFICANCE:
The exploration of Ubiquitin carboxyl-terminal hydrolase 29's function offers promising avenues for therapeutic intervention. Its critical role in enhancing antiviral immunity positions it as a valuable target for the development of novel antiviral therapies.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.