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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P63146

UPID:

UBE2B_HUMAN

Alternative names:

E2 ubiquitin-conjugating enzyme B; RAD6 homolog B; Ubiquitin carrier protein B; Ubiquitin-conjugating enzyme E2-17 kDa; Ubiquitin-protein ligase B

Alternative UPACC:

P63146; B2R503; D3DQA2; P23567; Q4PJ15; Q9D0J6

Background:

Ubiquitin-conjugating enzyme E2 B, also known as RAD6 homolog B, plays a pivotal role in DNA repair, transcription regulation, and cell cycle progression. It is instrumental in the monoubiquitination of histone H2B, a critical process for epigenetic transcriptional activation and subsequent gene expression. This enzyme's ability to catalyze 'Lys-11', 'Lys-48', and 'Lys-63' linked polyubiquitination underscores its versatility and essential function in postreplication repair of UV-damaged DNA.

Therapeutic significance:

Understanding the role of Ubiquitin-conjugating enzyme E2 B could open doors to potential therapeutic strategies. Its involvement in crucial cellular processes such as DNA repair and transcription regulation makes it a promising target for developing treatments for diseases where these pathways are disrupted.