Focused On-demand Library for Retinal dehydrogenase 2

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.

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 utilise our cutting-edge, exclusive workflow to develop focused 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

O94788

UPID:

AL1A2_HUMAN

Alternative names:

Aldehyde dehydrogenase family 1 member A2; Retinaldehyde-specific dehydrogenase type 2

Alternative UPACC:

O94788; B3KY52; B4DZR2; F5H2Y9; H0YM00; Q2PJS6; Q8NHQ4; Q9UBR8; Q9UFY0

Background:

Retinal dehydrogenase 2, also known as Aldehyde dehydrogenase family 1 member A2, plays a pivotal role in the NAD-dependent oxidation of aldehyde substrates, including all-trans-retinal and all-trans-13,14-dihydroretinal, transforming them into their corresponding carboxylic acids. This enzymatic activity is crucial for retinoate signaling, which significantly influences the transcriptional regulation of numerous genes and is essential for the initiation of meiosis in both sexes.

Therapeutic significance:

The protein's involvement in Diaphragmatic hernia 4, with cardiovascular defects, underscores its potential as a target for therapeutic intervention. Understanding the role of Retinal dehydrogenase 2 could open doors to potential therapeutic strategies, particularly in addressing congenital defects and improving patient outcomes.