Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 17

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 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted 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
Q6R6M4

UPID:
U17L2_HUMAN

ALTERNATIVE NAMES:
Deubiquitinating enzyme 17-like protein 2; Deubiquitinating protein 3; Ubiquitin carboxyl-terminal hydrolase 17-like protein 2; Ubiquitin thioesterase 17-like protein 2; Ubiquitin-specific-processing protease 17-like protein 2

ALTERNATIVE UPACC:
Q6R6M4

BACKGROUND:
The enzyme Ubiquitin carboxyl-terminal hydrolase 17, also known by alternative names such as Deubiquitinating enzyme 17-like protein 2, plays a crucial role in removing ubiquitin from proteins, thereby regulating various cellular functions. It is instrumental in controlling the localization and activation of small GTPases NRAS and HRAS, promoting cell-cycle progression by stabilizing CDC25A, and facilitating cell migration through the activation of Rho family GTPases.

THERAPEUTIC SIGNIFICANCE:
The exploration of Ubiquitin carboxyl-terminal hydrolase 17's function offers promising avenues for therapeutic intervention. By elucidating its role in deubiquitination processes that govern cell proliferation, cycle progression, and immune response, novel drug targets may emerge, paving the way for innovative treatments.

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