Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase 48

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q86UV5

UPID:

UBP48_HUMAN

Alternative names:

Deubiquitinating enzyme 48; Ubiquitin thioesterase 48; Ubiquitin-specific peptidase 48; Ubiquitin-specific protease 48; Ubiquitin-specific-processing protease 48

Alternative UPACC:

Q86UV5; B7ZKS7; Q2M3I4; Q5SZI4; Q5T3T5; Q6NX53; Q8N3F6; Q96F64; Q96IQ3; Q9H5N3; Q9H5T7; Q9NUJ6; Q9NXR0

Background:

Ubiquitin carboxyl-terminal hydrolase 48, known by alternative names such as Deubiquitinating enzyme 48 and Ubiquitin-specific protease 48, plays a crucial role in protein degradation pathways. It recognizes and hydrolyzes the peptide bond at the C-terminal Gly of ubiquitin, involved in processing poly-ubiquitin precursors and ubiquitinated proteins. This enzyme is pivotal in regulating NF-kappa-B activation and may influence postsynaptic sites.

Therapeutic significance:

Linked to Deafness, autosomal dominant, 85, a condition characterized by progressive sensorineural hearing loss, Ubiquitin carboxyl-terminal hydrolase 48's involvement suggests potential therapeutic targets. Understanding its role could open doors to innovative treatments for hearing loss and related neural disorders.