AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Ectodysplasin-A receptor-associated adapter protein

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 high-tech, dedicated method is applied to construct targeted 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.

Key features that set our library apart include:

  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q8WWZ3

UPID:

EDAD_HUMAN

Alternative names:

EDAR-associated death domain protein; Protein crinkled homolog

Alternative UPACC:

Q8WWZ3; A2VCK5; A8K7B5; B1AL54; B9ZVW5; Q5VYJ7

Background:

The Ectodysplasin-A receptor-associated adapter protein, also known as EDAR-associated death domain protein or Protein crinkled homolog, plays a pivotal role in the morphogenesis of ectodermal organs. It functions as an adapter protein that interacts with the EDAR DEATH domain, facilitating the coupling of the receptor to the EDA signaling pathway, which is crucial for the activation of NF-kappa-B.

Therapeutic significance:

Linked to ectodermal dysplasia 11A and 11B, conditions characterized by abnormal development of ectodermal structures, this protein's understanding could pave the way for innovative treatments targeting these genetic disorders.

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