AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for 2-Hydroxyacid oxidase 2

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

We employ our advanced, specialised process to create 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.

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

Q9NYQ3

UPID:

HAOX2_HUMAN

Alternative names:

(S)-2-hydroxy-acid oxidase, peroxisomal; Cell growth-inhibiting gene 16 protein; Long chain alpha-hydroxy acid oxidase; Long-chain L-2-hydroxy acid oxidase

Alternative UPACC:

Q9NYQ3; Q2TU86; Q5QP00; Q9UJS6

Background:

2-Hydroxyacid oxidase 2, also known as long-chain L-2-hydroxy acid oxidase, plays a crucial role in the oxidation of medium and long-chain hydroxyacids to their corresponding 2-oxoacids. This enzyme, found in peroxisomes, is pivotal in the alpha-oxidation pathway of fatty acids, a process essential for lipid metabolism and energy production. It utilizes O2 as the physiological electron acceptor, producing H2O2, and is specifically active with certain hydroxyacids, excluding glycolate, glyoxylate, L-lactate, and 2-hydroxybutanoate.

Therapeutic significance:

Understanding the role of 2-Hydroxyacid oxidase 2 could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and energy production highlights its potential as a target for disorders related to lipid processing and metabolic syndromes.

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