Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 12

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

O75317

UPID:

UBP12_HUMAN

Alternative names:

Deubiquitinating enzyme 12; Ubiquitin thioesterase 12; Ubiquitin-hydrolyzing enzyme 1; Ubiquitin-specific-processing protease 12

Alternative UPACC:

O75317; A8K0X0; Q5VZV3; Q8TC49

Background:

Ubiquitin carboxyl-terminal hydrolase 12, known by alternative names such as Deubiquitinating enzyme 12 and Ubiquitin-specific-processing protease 12, plays a crucial role in cellular processes. It functions primarily as a deubiquitinating enzyme, requiring interaction with WDR20 and WDR48 for high activity. This protein is not involved in the deubiquitination of monoubiquitinated FANCD2 but, in complex with WDR48, acts as a potential tumor suppressor by stabilizing PHLPP1.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 12 could open doors to potential therapeutic strategies, especially in the context of its tumor-suppressing capabilities through the regulation of PHLPP1 stability.