Focused On-demand Library for Beta,beta-carotene 15,15'-dioxygenase

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 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

Q9HAY6

UPID:

BCDO1_HUMAN

Alternative names:

Beta-carotene dioxygenase 1; Beta-carotene oxygenase 1

Alternative UPACC:

Q9HAY6; A0AV48; A0AV50; Q9NVH5

Background:

Beta,beta-carotene 15,15'-dioxygenase, also known as Beta-carotene dioxygenase 1, plays a crucial role in vitamin A biosynthesis by symmetrically cleaving beta-carotene into two molecules of retinal. This enzyme utilizes a dioxygenase mechanism, highlighting its importance in metabolic processes.

Therapeutic significance:

The enzyme's dysfunction is linked to Hypercarotenemia and vitamin A deficiency, autosomal dominant, a disorder marked by altered beta-carotene and vitamin A serum levels. Understanding the role of Beta,beta-carotene 15,15'-dioxygenase could open doors to potential therapeutic strategies for vitamin A deficiency-related conditions.