Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 27

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.

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.

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 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

A6NNY8

UPID:

UBP27_HUMAN

Alternative names:

Deubiquitinating enzyme 27; Ubiquitin carboxyl-terminal hydrolase 22-like; Ubiquitin thioesterase 27; Ubiquitin-specific-processing protease 27; X-linked ubiquitin carboxyl-terminal hydrolase 27

Alternative UPACC:

A6NNY8

Background:

Ubiquitin carboxyl-terminal hydrolase 27, known by alternative names such as Deubiquitinating enzyme 27 and Ubiquitin-specific-processing protease 27, plays a crucial role in innate antiviral immunity. It mediates deubiquitination of key antiviral proteins CGAS and RIGI, regulating type I interferon signaling and the cGAS-STING pathway. Additionally, it influences apoptosis by modulating BCL2L11 levels.

Therapeutic significance:

The protein's involvement in Intellectual developmental disorder, X-linked 105, underscores its potential as a therapeutic target. Understanding the role of Ubiquitin carboxyl-terminal hydrolase 27 could open doors to potential therapeutic strategies for treating this intellectual disability.