Focused On-demand Library for 4-hydroxy-2-oxoglutarate aldolase, mitochondrial

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

Q86XE5

UPID:

HOGA1_HUMAN

Alternative names:

Dihydrodipicolinate synthase-like; Probable 2-keto-4-hydroxyglutarate aldolase; Protein 569272

Alternative UPACC:

Q86XE5; A8K075; Q5T680; Q5T684; Q711P0; Q8N9F2; Q96EV5

Background:

4-hydroxy-2-oxoglutarate aldolase, mitochondrial, known alternatively as Dihydrodipicolinate synthase-like, Probable 2-keto-4-hydroxyglutarate aldolase, and Protein 569272, plays a pivotal role in the metabolic pathway of hydroxyproline. This enzyme catalyzes the final step, showcasing its critical function in metabolism.

Therapeutic significance:

Linked to Hyperoxaluria primary 3, a disorder marked by increased urinary oxalate excretion and mild glycolic aciduria, this protein's mutation underscores its clinical importance. Understanding the role of 4-hydroxy-2-oxoglutarate aldolase could open doors to potential therapeutic strategies for managing and treating this condition.