Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 4

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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q13107

UPID:

UBP4_HUMAN

Alternative names:

Deubiquitinating enzyme 4; Ubiquitin thioesterase 4; Ubiquitin-specific-processing protease 4; Ubiquitous nuclear protein homolog

Alternative UPACC:

Q13107; A8K6Y0; C9IY91; O43452; O43453; Q08AK8

Background:

Ubiquitin carboxyl-terminal hydrolase 4, known by alternative names such as Deubiquitinating enzyme 4 and Ubiquitin-specific-processing protease 4, plays a crucial role in cellular processes by removing ubiquitin from target proteins. This enzyme's actions are vital for the regulation of protein degradation, signal transduction, and DNA repair. It specifically deubiquitinates several key proteins including PDPK1, TRIM21, and ADORA2A, enhancing their stability and function.

Therapeutic significance:

Understanding the role of Ubiquitin carboxyl-terminal hydrolase 4 could open doors to potential therapeutic strategies. Its involvement in critical cellular processes suggests that modulating its activity could offer new avenues for treating diseases where protein degradation and signal transduction are disrupted.