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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening 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.

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

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.