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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
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.