Focused On-demand Library for Beta-1,4-galactosyltransferase 5

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.

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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We utilise our cutting-edge, exclusive workflow to develop 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.

Our library distinguishes itself through several key aspects:

The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.
The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.
The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.
In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

partner

Reaxense

upacc

O43286

UPID:

B4GT5_HUMAN

Alternative names:

Beta-1,4-GalT II; Glucosylceramide beta-1,4-galactosyltransferase; Lactosylceramide synthase; UDP-Gal:beta-GlcNAc beta-1,4-galactosyltransferase 5; UDP-galactose:beta-N-acetylglucosamine beta-1,4-galactosyltransferase 5

Alternative UPACC:

O43286; E1P625; Q2M394; Q9UJQ8; U6C5D7

Background:

Beta-1,4-galactosyltransferase 5, known by alternative names such as Lactosylceramide synthase and UDP-galactose:beta-N-acetylglucosamine beta-1,4-galactosyltransferase 5, plays a crucial role in the synthesis of lactosylceramide. This enzyme catalyzes the formation of LacCer from glucosylceramide, a key step in the biosynthesis of gangliosides, which are vital for neuronal maturation, axonal, and myelin formation in the CNS. Additionally, it is involved in the glycosylation of BMPR1A, affecting its stability, and is essential for early embryogenesis.

Therapeutic significance:

Understanding the role of Beta-1,4-galactosyltransferase 5 could open doors to potential therapeutic strategies, especially in neurological disorders and developmental anomalies.