AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for E3 ubiquitin-protein ligase RNF113A

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

O15541

UPID:

R113A_HUMAN

Alternative names:

Cwc24 homolog; RING finger protein 113A; Zinc finger protein 183

Alternative UPACC:

O15541; B2RBR7

Background:

E3 ubiquitin-protein ligase RNF113A, also known as Cwc24 homolog, RING finger protein 113A, and Zinc finger protein 183, plays a crucial role in cellular processes. It is essential for pre-mRNA splicing within the spliceosome, involved in U12-type intron splicing, and acts as an E3 ubiquitin-protein ligase. RNF113A is pivotal in DNA repair, signaling termination, and protein degradation, highlighting its multifunctionality in cellular homeostasis.

Therapeutic significance:

RNF113A's involvement in Trichothiodystrophy 5, a condition marked by developmental defects and immune system abnormalities, underscores its therapeutic potential. Understanding RNF113A's role could pave the way for innovative treatments targeting genetic and cellular dysfunctions underlying this disorder.

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