Focused On-demand Library for Beta-hexosaminidase subunit beta

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.

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.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

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

P07686

UPID:

HEXB_HUMAN

Alternative names:

Beta-N-acetylhexosaminidase subunit beta; Cervical cancer proto-oncogene 7 protein; N-acetyl-beta-glucosaminidase subunit beta

Alternative UPACC:

P07686

Background:

Beta-hexosaminidase subunit beta, also known as Beta-N-acetylhexosaminidase subunit beta, plays a crucial role in the hydrolysis of the non-reducing end N-acetyl-D-hexosamine of glycoconjugates. This enzyme is pivotal in the degradation of GM2 gangliosides, with its isozyme A being specifically responsible for this process in the presence of GM2A. Its presence in non-activated oocytes and subsequent release during oocyte activation highlights its role in fertilization, particularly in preventing polyspermy by inactivating the sperm galactosyltransferase-binding site.

Therapeutic significance:

The enzyme's deficiency is linked to GM2-gangliosidosis 2, an autosomal recessive lysosomal storage disease characterized by the accumulation of GM2 gangliosides in neuronal cells. This condition underscores the enzyme's therapeutic significance, as understanding its function and the genetic variants affecting it could lead to targeted treatments for this debilitating disease.