Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8WVB3
UPID:
HEXD_HUMAN
Alternative names:
Beta-N-acetylhexosaminidase; Beta-hexosaminidase D; Hexosaminidase domain-containing protein; N-acetyl-beta-galactosaminidase
Alternative UPACC:
Q8WVB3; B7UUP6; Q8IYN4; Q8TE81
Background:
Hexosaminidase D, also known as Beta-N-acetylhexosaminidase, plays a crucial role in cellular processes by cleaving monosaccharides N-acetylglucosamine (GlcNAc) and N-acetylgalactosamine (GalNAc) from cellular substrates. It exhibits a preference for galactosaminide over glucosaminide substrates, highlighting its specificity in biochemical pathways.
Therapeutic significance:
Understanding the role of Hexosaminidase D could open doors to potential therapeutic strategies. Its enzymatic activity in cleaving specific monosaccharides suggests its involvement in crucial cellular functions, making it a target for therapeutic intervention in diseases where these processes are dysregulated.