Focused On-demand Library for Cytochrome P450 26A1

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

Our top-notch dedicated system is used to design specialised 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.

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

O43174

UPID:

CP26A_HUMAN

Alternative names:

Cytochrome P450 retinoic acid-inactivating 1; Retinoic acid 4-hydroxylase; Retinoic acid-metabolizing cytochrome

Alternative UPACC:

O43174; B3KNI4; Q5VXH9; Q5VXI0

Background:

Cytochrome P450 26A1, also known as Retinoic acid 4-hydroxylase, plays a pivotal role in the metabolism of retinoic acids, the active metabolites of vitamin A. It primarily catalyzes the hydroxylation of all-trans-retinoic acid (atRA) at specific sites, regulating atRA homeostasis and signaling. This enzyme's activity is crucial for maintaining the balance of biologically active isomers of retinoic acid, thereby influencing cellular processes and development.

Therapeutic significance:

Understanding the role of Cytochrome P450 26A1 could open doors to potential therapeutic strategies. Its involvement in the precise regulation of retinoic acid levels suggests its potential as a target in disorders related to vitamin A metabolism and signaling pathways.