Focused On-demand Library for Alpha-N-acetylgalactosaminidase

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.

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 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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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

P17050

UPID:

NAGAB_HUMAN

Alternative names:

Alpha-galactosidase B

Alternative UPACC:

P17050

Background:

Alpha-N-acetylgalactosaminidase, also known as Alpha-galactosidase B, plays a crucial role in the degradation of glycolipids by removing terminal alpha-N-acetylgalactosamine residues. This enzymatic activity is essential for the proper breakdown of glycolipids, which are complex molecules composed of a lipid and a carbohydrate.

Therapeutic significance:

The enzyme's deficiency is linked to Schindler disease and Kanzaki disease, both genetic disorders with varying degrees of severity. Schindler disease manifests in three types, ranging from severe neuroaxonal dystrophy to mild-to-moderate neurological symptoms. Kanzaki disease presents with angiokeratoma corporis diffusum and mild intellectual impairment. Understanding the role of Alpha-N-acetygalactosaminidase could open doors to potential therapeutic strategies for these conditions.