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

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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q96B02

UPID:

UBE2W_HUMAN

Alternative names:

E2 ubiquitin-conjugating enzyme W; N-terminal E2 ubiquitin-conjugating enzyme; N-terminus-conjugating E2; Ubiquitin carrier protein W; Ubiquitin-conjugating enzyme 16; Ubiquitin-protein ligase W

Alternative UPACC:

Q96B02; B4DIV1; Q1XBE0; Q9H823; Q9HAG6; Q9NV07

Background:

Ubiquitin-conjugating enzyme E2 W, known as UBE2W, plays a pivotal role in protein ubiquitination, a critical process for protein degradation and signaling. It uniquely monoubiquitinates the N-terminus of substrates, including key proteins like ATXN3 and MAPT/TAU, facilitating their recognition and processing. UBE2W's involvement extends to DNA damage response, specifically after UV irradiation, by monoubiquitinating FANCD2, an essential step in the Fanconi anemia pathway.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 W could open doors to potential therapeutic strategies. Its unique function in protein and DNA repair pathways highlights its potential as a target in treating neurodegenerative diseases and enhancing DNA damage response mechanisms.