AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for DNA-binding protein RFXANK

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

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.

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