Focused On-demand Library for Ubiquitin-like modifier-activating enzyme 6

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

A0AVT1

UPID:

UBA6_HUMAN

Alternative names:

Monocyte protein 4; Ubiquitin-activating enzyme E1-like protein 2

Alternative UPACC:

A0AVT1; A6N8M7; B2RAV3; Q4W5K0; Q6UV21; Q86T78; Q86TC7; Q8N5T3; Q8N9E4; Q9H3T7; Q9NVC9

Background:

Ubiquitin-like modifier-activating enzyme 6, also known as Monocyte protein 4 or Ubiquitin-activating enzyme E1-like protein 2, plays a pivotal role in the ubiquitin-proteasome system. It activates ubiquitin by adenylating its C-terminal glycine residue with ATP, subsequently linking this residue to a cysteine residue in E1. This process is crucial for embryonic development and spermatogenesis, highlighting its specificity for ubiquitin and its essential role in UBD/FAT10 conjugation.

Therapeutic significance:

Understanding the role of Ubiquitin-like modifier-activating enzyme 6 could open doors to potential therapeutic strategies.