Focused On-demand Library for Ubiquitin conjugation factor E4 A

Details

Focused On-demand Libraries - Receptor.AI 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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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
Receptor.AI
 
UPACC
Q14139

UPID:
UBE4A_HUMAN

ALTERNATIVE NAMES:
RING-type E3 ubiquitin transferase E4 A

ALTERNATIVE UPACC:
Q14139; B0YJB6; Q2M1H0; Q6P5T4; Q7Z639

BACKGROUND:
The Ubiquitin conjugation factor E4 A, known for its alternative name RING-type E3 ubiquitin transferase E4 A, is integral to the ubiquitin-proteasome pathway. It likely serves as an E3 ligase alongside specific E1 and E2 ligases and is thought to function as an E4 ligase, facilitating the assembly of polyubiquitin chains on already ubiquitinated substrates. This activity is essential for 'Lys-48'-linked polyubiquitination, marking substrates for degradation.

THERAPEUTIC SIGNIFICANCE:
Linked to a neurodevelopmental disorder with symptoms including global developmental delay and hypotonia, the exploration of Ubiquitin conjugation factor E4 A's role offers a promising avenue for developing therapeutic interventions.

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