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

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.

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

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

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

Fig. 1. The sreening 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 distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

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:

E3 ubiquitin-protein ligase RING2, also known as RING finger protein 2, plays a pivotal role in histone code and gene regulation by mediating monoubiquitination of 'Lys-119' of histone H2A. This modification is crucial for epigenetic transcriptional repression, including X chromosome inactivation in females. RING2 is a key component of the Polycomb group (PcG) PRC1-like complex, essential for maintaining genes in a transcriptionally repressive state throughout development.

Therapeutic significance:

RING2's involvement in Luo-Schoch-Yamamoto syndrome, characterized by growth retardation, intellectual disability, and seizures, underscores its potential as a therapeutic target. Understanding RING2's role could open doors to novel strategies for treating this disorder.