Focused On-demand Library for D-ribitol-5-phosphate cytidylyltransferase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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.

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

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

A4D126

UPID:

ISPD_HUMAN

Alternative names:

2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase-like protein; Isoprenoid synthase domain-containing protein

Alternative UPACC:

A4D126; A8MU35; H9KVB2

Background:

D-ribitol-5-phosphate cytidylyltransferase plays a pivotal role in protein O-linked mannosylation, essential for the biosynthesis of phosphorylated O-mannosyl trisaccharide in alpha-dystroglycan. This process is crucial for binding laminin G-like domain-containing extracellular proteins. The enzyme's activity extends to the formation of CDP-ribitol, CDP-ribulose, and CDP-ribose, highlighting its versatility in cellular functions.

Therapeutic significance:

The enzyme's link to muscular dystrophy-dystroglycanopathy, both congenital with brain and eye anomalies (A7) and limb-girdle (C7), underscores its therapeutic potential. Targeting the enzyme's pathway could lead to novel treatments for these debilitating diseases, offering hope for affected individuals.