Focused On-demand Library for Arylacetamide deacetylase-like 4

Details

Focused On-demand Libraries - Receptor.AI 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.


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 Reaxense.


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.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening 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.


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
Receptor.AI
 
UPACC
Q5VUY2

UPID:
ADCL4_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
Q5VUY2

BACKGROUND:
The protein Arylacetamide deacetylase-like 4, with the unique identifier Q5VUY2, is a subject of scientific interest due to its potential involvement in critical biochemical pathways. Despite the lack of detailed functional and disease association data, its classification suggests a role in metabolic processes akin to its arylacetamide deacetylase counterparts.

THERAPEUTIC SIGNIFICANCE:
Investigating Arylacetamide deacetylase-like 4's function presents an exciting opportunity to uncover new therapeutic targets. The protein's study could lead to breakthroughs in treating diseases by identifying novel drug targets, thereby enriching the arsenal of disease-modifying therapies.

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