AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Putative 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase

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.

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 our associate Reaxense.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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

 Fig. 1. The sreening 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

Reaxense

upacc

A6NGE7

UPID:

URAD_HUMAN

Alternative names:

Parahox neighbor; Ureidoimidazoline (2-oxo-4-hydroxy-4-carboxy-5-) decarboxylase

Alternative UPACC:

A6NGE7

Background:

The protein, known as Putative 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase, and alternatively as Parahox neighbor and Ureidoimidazoline decarboxylase, plays a crucial role in the metabolic process. It catalyzes the stereoselective decarboxylation of 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline (OHCU) to (S)-allantoin, showcasing its importance in biochemical pathways.

Therapeutic significance:

Understanding the role of Putative 2-oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline decarboxylase could open doors to potential therapeutic strategies. Its unique enzymatic activity suggests a pivotal role in metabolic pathways, which could be leveraged in designing novel treatments.

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