Focused On-demand Library for Acylpyruvase FAHD1, mitochondrial

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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

Q6P587

UPID:

FAHD1_HUMAN

Alternative names:

Fumarylacetoacetate hydrolase domain-containing protein 1; Oxaloacetate decarboxylase; YisK-like protein

Alternative UPACC:

Q6P587; B1AK40; B1AK41; Q6FIC7; Q96RY1; Q9H0N6

Background:

Acylpyruvase FAHD1, a mitochondrial protein, exhibits a unique enzymatic profile, hydrolyzing acetylpyruvate and fumarylpyruvate, as evidenced by studies (PubMed:15551868, PubMed:21878618). Additionally, it possesses oxaloacetate decarboxylase activity, contributing to its multifunctional role in cellular metabolism (PubMed:25575590). Known alternatively as Fumarylacetoacetate hydrolase domain-containing protein 1, Oxaloacetate decarboxylase, and YisK-like protein, FAHD1's biochemical versatility underscores its significance in metabolic pathways.

Therapeutic significance:

Understanding the role of Acylpyruvase FAHD1 could open doors to potential therapeutic strategies, offering new avenues for drug discovery and development. Its involvement in key metabolic processes highlights its potential as a target for therapeutic intervention.