Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 14

Focused On-demand Libraries - Reaxense 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.

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 our partner Reaxense.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Reaxense

upacc

P54578

UPID:

UBP14_HUMAN

Alternative names:

Deubiquitinating enzyme 14; Ubiquitin thioesterase 14; Ubiquitin-specific-processing protease 14

Alternative UPACC:

P54578; B7Z4N8; J3QRZ5; Q53XY5

Background:

Ubiquitin carboxyl-terminal hydrolase 14, also known as Deubiquitinating enzyme 14, plays a crucial role in proteasome-associated deubiquitination, ensuring ubiquitin regeneration. It functions both as a part of the proteasome and independently within the cell, facilitating the degradation of specific proteins like the chemokine receptor CXCR4, critical for cell chemotaxis. Additionally, it acts as a physiological inhibitor of ERAD under non-stressed conditions and is vital for synaptic development at neuromuscular junctions. Its role in stabilizing the viral DNA sensor CGAS highlights its importance in the innate immune defense against viruses.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 14 could open doors to potential therapeutic strategies.