Focused On-demand Library for E3 ubiquitin ligase TRAF3IP2

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.

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 use our state-of-the-art dedicated workflow for designing 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 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

O43734

UPID:

CIKS_HUMAN

Alternative names:

Adapter protein CIKS; Connection to IKK and SAPK/JNK; E3 ubiquitin-protein ligase CIKS; Nuclear factor NF-kappa-B activator 1; TRAF3-interacting protein 2

Alternative UPACC:

O43734; B2RAY9; E1P555; Q5R3A3; Q7Z6Q1; Q7Z6Q2; Q7Z6Q3; Q9H5W2; Q9H6Y3; Q9NS14; Q9UG72

Background:

E3 ubiquitin ligase TRAF3IP2, also known as Adapter protein CIKS and Nuclear factor NF-kappa-B activator 1, plays a pivotal role in immune response regulation. It catalyzes 'Lys-63'-linked polyubiquitination, enhancing protein-protein interactions and cell signaling. This protein is a crucial adapter in IL17A-mediated signaling, interacting with IL17RA and IL17RC, leading to activation of NF-kappa-B and MAPkinase pathways.

Therapeutic significance:

TRAF3IP2's involvement in diseases like Psoriasis 13 and familial Candidiasis 8 highlights its potential as a therapeutic target. Understanding its role could pave the way for innovative treatments for these chronic inflammatory conditions.