Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 7

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q93009

UPID:
UBP7_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 7; Herpesvirus-associated ubiquitin-specific protease; Ubiquitin thioesterase 7; Ubiquitin-specific-processing protease 7

ALTERNATIVE UPACC:
Q93009; A6NMY8; B7Z815; H0Y3G8

BACKGROUND:
Ubiquitin-specific-processing protease 7, with alternative names such as Herpesvirus-associated ubiquitin-specific protease, is integral to the deubiquitination of key regulatory proteins. It influences cell proliferation, apoptosis, and DNA damage response, highlighting its significance in maintaining cellular integrity.

THERAPEUTIC SIGNIFICANCE:
Given its crucial role in Hao-Fountain syndrome and potential involvement in cancer through p53/TP53 stabilization, targeting Ubiquitin-specific-processing protease 7 offers a promising avenue for developing innovative treatments for these diseases.

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.