Focused On-demand Library for Delta(24)-sterol reductase

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.

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

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q15392

UPID:

DHC24_HUMAN

Alternative names:

24-dehydrocholesterol reductase; 3-beta-hydroxysterol Delta-24-reductase; Diminuto/dwarf1 homolog; Seladin-1

Alternative UPACC:

Q15392; B7Z817; D3DQ51; Q9HBA8

Background:

Delta(24)-sterol reductase, also known as 24-dehydrocholesterol reductase, plays a pivotal role in cholesterol biosynthesis. It catalyzes the reduction of the delta-24 double bond of sterol intermediates, a critical step in the production of cholesterol. This enzyme not only contributes to cholesterol synthesis but also offers cellular protection against oxidative stress by reducing caspase 3 activity during apoptosis and guarding against amyloid-beta peptide-induced apoptosis.

Therapeutic significance:

Desmosterolosis, a rare autosomal recessive disorder characterized by multiple congenital anomalies and elevated levels of desmosterol, is directly linked to mutations affecting Delta(24)-sterol reductase. Understanding the role of Delta(24)-sterol reductase could open doors to potential therapeutic strategies for treating desmosterolosis and possibly other cholesterol-related disorders.