Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P22760
UPID:
AAAD_HUMAN
Alternative names:
-
Alternative UPACC:
P22760; A8K3L3; D3DNJ6; Q8N1A9
Background:
Arylacetamide deacetylase, identified by the accession number P22760, plays a crucial role in metabolic processes within the liver. It exhibits cellular triglyceride lipase activity, contributing to the hydrolysis of triglycerides into fatty acids, essential for very low-density lipoprotein assembly. Additionally, it possesses serine esterase activity and is involved in the deacetylation of arylacetamide substrates, including xenobiotic compounds and procarcinogens, thereby increasing their toxicity.
Therapeutic significance:
Understanding the role of Arylacetamide deacetylase could open doors to potential therapeutic strategies. Its involvement in lipid metabolism and detoxification processes makes it a promising target for addressing liver diseases and managing the effects of xenobiotic compounds.