Focused On-demand Library for DNA-binding protein RFXANK

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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.

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

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

O14593

UPID:

RFXK_HUMAN

Alternative names:

Ankyrin repeat family A protein 1; Regulatory factor X subunit B; Regulatory factor X-associated ankyrin-containing protein

Alternative UPACC:

O14593; O95839; Q24JQ1; Q6FGA8

Background:

DNA-binding protein RFXANK, also known as Regulatory factor X subunit B, plays a pivotal role in immune response. It activates transcription from class II MHC promoters, essential for a functional adaptive immune system. RFXANK's interaction with MHC class II transactivator/CIITA is crucial for this process, highlighting its significance in gene regulation and immune defense mechanisms.

Therapeutic significance:

RFXANK's mutation leads to Bare lymphocyte syndrome 2, a severe immunodeficiency disorder. This condition underscores the protein's critical role in immune system functionality. Understanding RFXANK's mechanisms offers a pathway to novel treatments for immune-related diseases, emphasizing the importance of targeted therapeutic strategies.