Focused On-demand Library for Ubiquitin conjugation factor E4 A

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.

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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

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

Q14139

UPID:

UBE4A_HUMAN

Alternative names:

RING-type E3 ubiquitin transferase E4 A

Alternative UPACC:

Q14139; B0YJB6; Q2M1H0; Q6P5T4; Q7Z639

Background:

Ubiquitin conjugation factor E4 A, also known as RING-type E3 ubiquitin transferase E4 A, plays a pivotal role in the ubiquitin-proteasome system. It functions as an E3 ligase, potentially in conjunction with specific E1 and E2 ligases, and may act as an E4 ligase to mediate the assembly of polyubiquitin chains on substrates previously ubiquitinated by another E3 ligase. This process is crucial for 'Lys-48'-linked polyubiquitination of substrates, targeting them for proteasomal degradation.

Therapeutic significance:

The protein is implicated in a neurodevelopmental disorder characterized by severe developmental delay, hypotonia, and impaired intellectual development. Understanding the role of Ubiquitin conjugation factor E4 A could open doors to potential therapeutic strategies for this disorder.