Focused On-demand Library for Ubiquitin-conjugating enzyme E2 U

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

We utilise our cutting-edge, exclusive workflow to develop 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

Q5VVX9

UPID:

UBE2U_HUMAN

Alternative names:

E2 ubiquitin-conjugating enzyme U; Ubiquitin carrier protein U; Ubiquitin-protein ligase U

Alternative UPACC:

Q5VVX9; Q8N1D4

Background:

The Ubiquitin-conjugating enzyme E2 U, also known as E2 ubiquitin-conjugating enzyme U, Ubiquitin carrier protein U, and Ubiquitin-protein ligase U, plays a pivotal role in the ubiquitination pathway. This enzyme is crucial for the covalent attachment of ubiquitin to target proteins, a process fundamental for protein degradation, DNA repair, cell cycle regulation, and signaling.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 U could open doors to potential therapeutic strategies. Its central function in ubiquitination highlights its potential as a target for drug discovery, aiming to modulate protein degradation pathways implicated in various diseases.