Focused On-demand Library for Cytochrome P450 27C1

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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 use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

Q4G0S4

UPID:

C27C1_HUMAN

Alternative names:

All-trans retinol 3,4-desaturase

Alternative UPACC:

Q4G0S4; A0A590UJ17; Q6ZNI7

Background:

Cytochrome P450 27C1, also known as All-trans retinol 3,4-desaturase, plays a pivotal role in vitamin A metabolism. It catalyzes the conversion of all-trans-retinol (vitamin A1) to all-trans-3,4-didehydroretinol (vitamin A2) in the skin, impacting visual and dermatological health. This enzyme also processes all-trans retinal and all-trans retinoic acid with lower efficiency, contributing to the formation of minor retinol derivatives. The process involves molecular oxygen, with NADPH providing the necessary electrons through a mitochondrial transfer system including FDXR and FDX1 or FDX2.

Therapeutic significance:

Understanding the role of Cytochrome P450 27C1 could open doors to potential therapeutic strategies, particularly in the realms of skin and eye health, by modulating vitamin A metabolism.