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 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
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
Q5VST6
UPID:
AB17B_HUMAN
Alternative names:
-
Alternative UPACC:
Q5VST6; A8KAJ5; Q5VST7; Q86YB6; Q8IY03; Q9Y377
Background:
Alpha/beta hydrolase domain-containing protein 17B, identified by the accession number Q5VST6, plays a crucial role in cellular processes through its enzymatic activity. It hydrolyzes fatty acids from S-acylated cysteine residues in proteins, impacting the function and localization of several key proteins such as DLG4/PSD95, GAP43, MAP6, and NRAS. This protein's ability to modify the palmitoylation status of these substrates suggests a significant regulatory mechanism in cell signaling and neural development.
Therapeutic significance:
Understanding the role of Alpha/beta hydrolase domain-containing protein 17B could open doors to potential therapeutic strategies. Its involvement in the depalmitoylation of proteins critical for neural function and signaling pathways highlights its potential as a target in neurological disorders and cancers where these pathways are dysregulated.