AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Acyl-CoA-binding domain-containing protein 5

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

We utilise our cutting-edge, exclusive workflow to develop focused libraries.

 Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds across diverse 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

Q5T8D3

UPID:

ACBD5_HUMAN

Alternative names:

-

Alternative UPACC:

Q5T8D3; B3KQ56; D3DRW0; Q5T8D4; Q5T8E1; Q5T8E2; Q86UV1; Q8N6E3; Q9UFB5

Background:

Acyl-CoA-binding domain-containing protein 5 plays a pivotal role in cellular processes by binding medium- and long-chain acyl-CoA esters. Its function as the peroxisome receptor for pexophagy, while not essential for aggrephagy and nonselective autophagy, underscores its importance in cellular homeostasis and lipid metabolism.

Therapeutic significance:

The protein is linked to Retinal dystrophy with leukodystrophy, a disorder marked by progressive leukodystrophy, developmental delay, and other severe symptoms. Understanding the role of Acyl-CoA-binding domain-containing protein 5 could lead to novel therapeutic strategies for this debilitating condition.

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