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 extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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 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.

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

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.