Focused On-demand Library for Ubiquitin carboxyl-terminal hydrolase isozyme L1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.

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.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P09936

UPID:

UCHL1_HUMAN

Alternative names:

Neuron cytoplasmic protein 9.5; PGP 9.5; Ubiquitin thioesterase L1

Alternative UPACC:

P09936; Q4W5K6; Q71UM0

Background:

Ubiquitin carboxyl-terminal hydrolase isozyme L1, also known as Neuron cytoplasmic protein 9.5 or PGP 9.5, plays a crucial role in protein degradation pathways. It functions as a ubiquitin-protein hydrolase, involved in the processing of ubiquitin precursors and ubiquitinated proteins. This enzyme, a thiol protease, specifically recognizes and hydrolyzes a peptide bond at the C-terminal glycine of ubiquitin, essential for protein turnover and cellular regulation.

Therapeutic significance:

Ubiquitin carboxyl-terminal hydrolase isozyme L1 is implicated in Parkinson disease 5, a neurodegenerative disorder, and various forms of spastic paraplegia. Understanding its role could lead to novel therapeutic strategies for these conditions, highlighting its potential as a target for drug discovery in neurodegenerative diseases.