Focused On-demand Library for E3 ubiquitin-protein ligase RNF125

Focused On-demand Libraries - Reaxense 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.

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.

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.

We utilise our cutting-edge, exclusive workflow to develop focused 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 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

Reaxense

upacc

Q96EQ8

UPID:

RN125_HUMAN

Alternative names:

RING finger protein 125; T-cell RING activation protein 1

Alternative UPACC:

Q96EQ8; Q9NX39

Background:

E3 ubiquitin-protein ligase RNF125, also known as RING finger protein 125 and T-cell RING activation protein 1, plays a pivotal role in the ubiquitination and subsequent proteasomal degradation of target proteins. This includes key regulators of immune responses such as RIGI, MAVS/IPS1, IFIH1/MDA5, JAK1, and p53/TP53. Its activity is crucial in modulating type I interferon production and T-cell activation, highlighting its multifaceted role in immune regulation.

Therapeutic significance:

Given its involvement in Tenorio syndrome, characterized by overgrowth, macrocephaly, and intellectual disability, E3 ubiquitin-protein ligase RNF125 represents a potential target for therapeutic intervention. Understanding the role of E3 ubiquitin-protein ligase RNF125 could open doors to potential therapeutic strategies.