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

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Q96GK7

UPID:

FAH2A_HUMAN

Alternative names:

Alternative UPACC:

Q96GK7; Q9Y3B0

Background:

Fumarylacetoacetate hydrolase domain-containing protein 2A, encoded by the gene symbol Q96GK7, is postulated to exhibit hydrolase activity. This protein is part of a broader family of enzymes that play crucial roles in various biochemical pathways, including the breakdown of complex molecules.

Therapeutic significance:

Understanding the role of Fumarylacetoacetate hydrolase domain-containing protein 2A could open doors to potential therapeutic strategies. Its hypothesized hydrolase activity suggests it may be involved in key metabolic processes, making it a target of interest for drug discovery efforts aimed at treating metabolic disorders.