Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P06865
UPID:
HEXA_HUMAN
Alternative names:
Beta-N-acetylhexosaminidase subunit alpha; N-acetyl-beta-glucosaminidase subunit alpha
Alternative UPACC:
P06865; B4DKE7; E7ENH7; Q53HS8; Q6AI32
Background:
Beta-hexosaminidase subunit alpha, also known as N-acetyl-beta-glucosaminidase subunit alpha, plays a crucial role in the degradation of GM2 gangliosides. It hydrolyzes the non-reducing end N-acetyl-D-hexosamine of glycoconjugates, crucial for the breakdown of oligosaccharides from proteins and lipids.
Therapeutic significance:
The protein's deficiency is directly linked to GM2-gangliosidosis 1, a severe lysosomal storage disease causing neurodegeneration and early childhood death. Targeting this protein's pathway offers a promising avenue for therapeutic intervention in treating this genetic disorder.