Focused On-demand Library for Sterol 26-hydroxylase, mitochondrial

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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

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

Q02318

UPID:

CP27A_HUMAN

Alternative names:

5-beta-cholestane-3-alpha,7-alpha,12-alpha-triol 26-hydroxylase; Cytochrome P-450C27/25; Cytochrome P450 27; Sterol 27-hydroxylase; Vitamin D(3) 25-hydroxylase

Alternative UPACC:

Q02318; A8K303; Q6LDB4; Q86YQ6

Background:

Sterol 26-hydroxylase, a mitochondrial enzyme also known as Cytochrome P450 27, plays a pivotal role in cholesterol metabolism. It catalyzes the hydroxylation of cholesterol and its derivatives, facilitating the conversion of excess cholesterol to bile acids. This enzyme is crucial for maintaining cholesterol homeostasis and supports the elimination of harmful oxysterols from the body. Its alternative names include 5-beta-cholestane-3-alpha,7-alpha,12-alpha-triol 26-hydroxylase and Sterol 27-hydroxylase.

Therapeutic significance:

Sterol 26-hydroxylase is linked to Cerebrotendinous xanthomatosis, a rare disorder characterized by neurologic dysfunction, premature atherosclerosis, and cataracts. Understanding the role of Sterol 26-hydroxylase could open doors to potential therapeutic strategies for this disease, highlighting its importance in drug discovery.