Focused On-demand Library for Ubiquitin-conjugating enzyme E2 variant 3

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 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.

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.

We employ our advanced, specialised process to create targeted libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

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

Q8IX04

UPID:

UEVLD_HUMAN

Alternative names:

EV and lactate/malate dehydrogenase domain-containing protein

Alternative UPACC:

Q8IX04; B2RB69; B4DL43; F5H6L6; H7BYD6; Q6P2F0; Q96FF5; Q9NUX7

Background:

Ubiquitin-conjugating enzyme E2 variant 3, also known as EV and lactate/malate dehydrogenase domain-containing protein, plays a crucial role in the ubiquitination pathway. This enzyme is a possible negative regulator of polyubiquitination, a process vital for protein degradation, DNA repair, cell cycle regulation, and kinase modification.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 variant 3 could open doors to potential therapeutic strategies. Its involvement in key cellular processes underscores its potential as a target for drug discovery, aiming to modulate ubiquitination pathways for therapeutic benefit.