Focused On-demand Library for Galactocerebrosidase

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 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.

Our library stands out due to several important features:

The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.
Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.
Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.
Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

partner

Reaxense

upacc

P54803

UPID:

GALC_HUMAN

Alternative names:

Galactocerebroside beta-galactosidase; Galactosylceramidase; Galactosylceramide beta-galactosidase

Alternative UPACC:

P54803; B4DKE8; B4DYN1; B4DZJ8; B7Z7Z2; J3KN25; J3KPP8; Q8J030

Background:

Galactocerebrosidase, known alternatively as Galactocerebroside beta-galactosidase, Galactosylceramidase, and Galactosylceramide beta-galactosidase, plays a crucial role in the lysosomal catabolism of galactosylceramide. This enzyme is pivotal for the breakdown of galactolipids, essential components in myelin, kidney, and epithelial cells of the small intestine and colon.

Therapeutic significance:

The dysfunction of Galactocerebrosidase is directly linked to Krabbe disease, an autosomal recessive disorder marked by severe neurological degeneration. Understanding the enzymatic activity and regulation of Galactocerebrosidase offers a promising avenue for developing targeted therapies for Krabbe disease, potentially alleviating or reversing its devastating effects.