Focused On-demand Library for E3 ubiquitin-protein ligase RNF126

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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve 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

Q9BV68

UPID:

RN126_HUMAN

Alternative names:

RING finger protein 126

Alternative UPACC:

Q9BV68; Q9NWX1

Background:

E3 ubiquitin-protein ligase RNF126, also known as RING finger protein 126, plays a crucial role in protein ubiquitination, impacting various cellular processes. It mediates both 'Lys-48'- and 'Lys-63'-linked polyubiquitination, essential for protein degradation and signaling. RNF126 is pivotal in a quality control process, ensuring mislocalized secretory pathway proteins are degraded. It also influences the endosomal recycling of key receptors and promotes cell proliferation by targeting CDKN1A/p21 for degradation.

Therapeutic significance:

Understanding the role of E3 ubiquitin-protein ligase RNF126 could open doors to potential therapeutic strategies. Its involvement in protein ubiquitination and degradation pathways highlights its potential as a target in diseases where these processes are dysregulated.