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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q5VUY0
UPID:
ADCL3_HUMAN
Alternative names:
-
Alternative UPACC:
Q5VUY0; B3KXR9; Q5VUY1
Background:
Arylacetamide deacetylase-like 3, encoded by the gene with the accession number Q5VUY0, plays a crucial role in the metabolism of various substances within the body. Its specific functions and interactions within cellular processes remain to be fully elucidated, making it a subject of significant scientific interest.
Therapeutic significance:
Understanding the role of Arylacetamide deacetylase-like 3 could open doors to potential therapeutic strategies. Its involvement in metabolic pathways suggests a potential for targeting in the treatment of metabolic disorders.