Focused On-demand Library for Ubiquitin-conjugating enzyme E2 variant 1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused 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

Q13404

UPID:

UB2V1_HUMAN

Alternative names:

CROC-1; TRAF6-regulated IKK activator 1 beta Uev1A

Alternative UPACC:

Q13404; E1P629; Q13403; Q13532; Q5TGE0; Q5TGE3; Q96H34; Q9GZT0; Q9GZW1; Q9H4J3; Q9H4J4; Q9UKL1; Q9UM48; Q9UM49; Q9UM50

Background:

Ubiquitin-conjugating enzyme E2 variant 1 (UBE2V1), also known as CROC-1 and TRAF6-regulated IKK activator 1 beta Uev1A, plays a pivotal role in cellular processes. It forms a heterodimer with UBE2N, catalyzing the synthesis of Lys-63-linked poly-ubiquitin chains. These chains are crucial for activating IKK, NF-kappa-B, and are involved in DNA repair, cell cycle control, and differentiation. UBE2V1's function extends to mediating transcriptional activation of target genes and contributing to the survival of cells post-DNA damage.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 variant 1 could open doors to potential therapeutic strategies.