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.
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 utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
A8MPS7
UPID:
YDJC_HUMAN
Alternative names:
-
Alternative UPACC:
A8MPS7; Q2YDT4; Q4V9R7
Background:
The Carbohydrate deacetylase, identified by the accession number A8MPS7, plays a crucial role in the metabolic process by catalyzing the deacetylation of acetylated carbohydrates. This enzymatic activity is a vital step in the degradation of oligosaccharides, facilitating the breakdown and assimilation of complex sugars.
Therapeutic significance:
Understanding the role of Carbohydrate deacetylase could open doors to potential therapeutic strategies. Its involvement in carbohydrate metabolism suggests its potential impact on nutritional disorders and metabolic diseases.