Focused On-demand Library for E3 ubiquitin-protein ligase RING2

Details

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


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.


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
Receptor.AI
 
UPACC
Q99496

UPID:
RING2_HUMAN

ALTERNATIVE NAMES:
Huntingtin-interacting protein 2-interacting protein 3; Protein DinG; RING finger protein 1B; RING finger protein 2; RING finger protein BAP-1; RING-type E3 ubiquitin transferase RING2

ALTERNATIVE UPACC:
Q99496; B2RBS7; B3KRH1; Q5TEN1; Q5TEN2

BACKGROUND:
The protein E3 ubiquitin-protein ligase RING2, with alternative names such as RING finger protein 1B and RING-type E3 ubiquitin transferase RING2, is central to the histone code and gene regulation. It facilitates the monoubiquitination of histone H2A, a key epigenetic marker for transcriptional repression. RING2 is integral to the Polycomb group (PcG) PRC1-like complex, influencing chromatin remodeling and histone modification to maintain genes in a repressive state.

THERAPEUTIC SIGNIFICANCE:
Given RING2's critical role in Luo-Schoch-Yamamoto syndrome, marked by severe intellectual disability and early-onset seizures, targeting this protein could lead to groundbreaking treatments. Understanding the role of E3 ubiquitin-protein ligase RING2 could open doors to potential therapeutic strategies.

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