AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Fumarylacetoacetate hydrolase domain-containing protein 2B

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.

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

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

Q6P2I3

UPID:

FAH2B_HUMAN

Alternative names:

-

Alternative UPACC:

Q6P2I3; D3DXH7; Q8NDK1

Background:

Fumarylacetoacetate hydrolase domain-containing protein 2B, encoded by the gene symbol Q6P2I3, is speculated to possess hydrolase activity. This protein plays a crucial role in metabolic processes, catalyzing the breakdown of complex molecules into simpler ones, a fundamental function in cellular metabolism.

Therapeutic significance:

Understanding the role of Fumarylacetoacetate hydrolase domain-containing protein 2B could open doors to potential therapeutic strategies. Its involvement in metabolic pathways suggests that modulation of its activity could be beneficial in metabolic disorders.

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