Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 11

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

P51784

UPID:

UBP11_HUMAN

Alternative names:

Deubiquitinating enzyme 11; Ubiquitin thioesterase 11; Ubiquitin-specific-processing protease 11

Alternative UPACC:

P51784; B2RTX1; Q8IUG6; Q9BWE1

Background:

Ubiquitin carboxyl-terminal hydrolase 11, also known as Deubiquitinating enzyme 11, plays a pivotal role in cellular processes by removing conjugated ubiquitin from target proteins and polyubiquitin chains. This enzyme exhibits specificity for 'Lys-6' and 'Lys-63'-linked ubiquitin chains, influencing protein degradation by the proteasome. It is integral in NF-kappa-B activation pathways and DNA repair mechanisms following double-stranded DNA breaks, additionally acting as a chromatin regulator through its association with the Polycomb group (PcG) multiprotein PRC1-like complex.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 11 could open doors to potential therapeutic strategies.