Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 45

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q70EL2

UPID:

UBP45_HUMAN

Alternative names:

Deubiquitinating enzyme 45; Ubiquitin thioesterase 45; Ubiquitin-specific-processing protease 45

Alternative UPACC:

Q70EL2; B2RXG0; Q5T062; Q86T44; Q86TC0; Q9BRU1

Background:

Ubiquitin carboxyl-terminal hydrolase 45, also known as Deubiquitinating enzyme 45, plays a pivotal role in cellular processes through the deubiquitination of SPDL1 and ERCC1. Its activity is crucial for the repair of UV-induced DNA damage, promoting the recruitment of ERCC1 to damage sites. Additionally, it is implicated in the maintenance of photoreceptor function and normal retinal development, highlighting its significance in cellular migration and visual health.

Therapeutic significance:

The protein's involvement in Leber congenital amaurosis 19, a severe dystrophy of the retina, underscores its therapeutic potential. Understanding the role of Ubiquitin carboxyl-terminal hydrolase 45 could open doors to potential therapeutic strategies for this and related visual impairments.