Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
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 stands out due to several important features:
partner
Reaxense
upacc
Q01459
UPID:
DIAC_HUMAN
Alternative names:
-
Alternative UPACC:
Q01459; Q5VX50
Background:
Di-N-acetylchitobiase plays a crucial role in the degradation of asparagine-linked glycoproteins, specifically in the hydrolysis of N-acetyl-beta-D-glucosamine (1-4)N-acetylglucosamine chitobiose core. This process is essential for the proper cleavage by glycosylasparaginase, highlighting its importance in cellular metabolism and protein processing.
Therapeutic significance:
Understanding the role of Di-N-acetylchitobiase could open doors to potential therapeutic strategies. Its involvement in the breakdown of glycoproteins suggests a foundational role in cellular health and disease prevention, making it a target of interest for drug discovery efforts.