Focused On-demand Library for Ubiquitin-conjugating enzyme E2 G1

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.

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.

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.

Our high-tech, dedicated method is applied to construct targeted 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.

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

P62253

UPID:

UB2G1_HUMAN

Alternative names:

E2 ubiquitin-conjugating enzyme G1; E217K; UBC7; Ubiquitin carrier protein G1; Ubiquitin-protein ligase G1

Alternative UPACC:

P62253; B2R7P2; D3DTK0; Q99462

Background:

The Ubiquitin-conjugating enzyme E2 G1, known by alternative names such as E2 ubiquitin-conjugating enzyme G1, E217K, UBC7, Ubiquitin carrier protein G1, and Ubiquitin-protein ligase G1, plays a pivotal role in protein ubiquitination. It accepts ubiquitin from the E1 complex and catalyzes its covalent attachment to other proteins, facilitating 'Lys-48'- and 'Lys-63'-linked polyubiquitination. This enzyme is crucial in the degradation of muscle-specific proteins and mediates the polyubiquitination of CYP3A4.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 G1 could open doors to potential therapeutic strategies.