Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 19

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

O94966

UPID:

UBP19_HUMAN

Alternative names:

Deubiquitinating enzyme 19; Ubiquitin thioesterase 19; Ubiquitin-specific-processing protease 19; Zinc finger MYND domain-containing protein 9

Alternative UPACC:

O94966; A5PKX8; A6H8U2; B4DGT3; B4DTZ0; E7EN22; E7ETS0; E9PEG8; Q3KQW4; Q641Q9; Q6NZY8; Q86XV9

Background:

Ubiquitin carboxyl-terminal hydrolase 19, known alternatively as Deubiquitinating enzyme 19, plays a pivotal role in protein degradation pathways. It specifically deubiquitinates and stabilizes RNF123, influencing cell proliferation and muscle atrophy. This enzyme is crucial in modulating major myofibrillar protein transcription, ERAD substrate turnover, and hypoxia response, showcasing a preference for 'Lys-63'-linked ubiquitin chains.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 19 could open doors to potential therapeutic strategies.