Focused On-demand Library for E3 ubiquitin ligase TRAF3IP2

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

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.