AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for E3 ubiquitin-protein ligase RNF114

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9Y508

UPID:

RN114_HUMAN

Alternative names:

RING finger protein 114; RING-type E3 ubiquitin transferase RNF114; Zinc finger protein 228; Zinc finger protein 313

Alternative UPACC:

Q9Y508; B2RDQ9; B4DWY5; E1P627; Q6N0B0

Background:

E3 ubiquitin-protein ligase RNF114, also known as RING finger protein 114, plays a pivotal role in various biological processes including cell cycle progression, apoptosis, osteoclastogenesis, and immune responses. It functions by promoting the ubiquitination of substrates, thereby regulating NF-kappa-B-dependent transcription, T-cell activation, and cellular responses to dsRNA. RNF114 targets several key proteins for ubiquitination, such as TNFAIP3, TRAF6, and the CDK inhibitors CDKN1A, CDKN1B, and CDKN1C, facilitating G1-to-S phase transition and suppressing cellular senescence.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase RNF114 could open doors to potential therapeutic strategies.

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