Focused On-demand Library for Ubiquitin-conjugating enzyme E2 variant 2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.

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 top-notch dedicated system is used to design specialised libraries.

Fig. 1. The sreening workflow of Receptor.AI

Our strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse 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

Q15819

UPID:

UB2V2_HUMAN

Alternative names:

DDVit 1; Enterocyte differentiation-associated factor 1; Enterocyte differentiation-promoting factor 1; MMS2 homolog; Vitamin D3-inducible protein

Alternative UPACC:

Q15819

Background:

Ubiquitin-conjugating enzyme E2 variant 2 (UBE2V2), also known by alternative names such as DDVit 1 and Vitamin D3-inducible protein, plays a pivotal role in cellular processes. It forms a heterodimer with UBE2N to catalyze the synthesis of 'Lys-63'-linked non-canonical poly-ubiquitin chains, which do not target proteins for degradation but are crucial for transcriptional activation, cell cycle progression, differentiation, error-free DNA repair, and cell survival post-DNA damage.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 variant 2 could open doors to potential therapeutic strategies.