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.
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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P20933
UPID:
ASPG_HUMAN
Alternative names:
Aspartylglucosaminidase; Glycosylasparaginase; N4-(N-acetyl-beta-glucosaminyl)-L-asparagine amidase
Alternative UPACC:
P20933; B2R7H2; D3DP47; Q4W5Q2; Q6FHN6; Q9UCK6; Q9UCK7; Q9UCK8
Background:
N(4)-(beta-N-acetylglucosaminyl)-L-asparaginase, also known as Aspartylglucosaminidase, plays a crucial role in the degradation of glycoproteins by cleaving the GlcNAc-Asn bond. This enzyme is essential for the proper turnover of glycoproteins within cells.
Therapeutic significance:
Aspartylglucosaminuria, a lysosomal storage disease, is directly linked to mutations in the gene encoding this enzyme. Understanding its function could lead to novel treatments for this condition, highlighting its therapeutic significance.