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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8NFV4
UPID:
ABHDB_HUMAN
Alternative names:
Alpha/beta hydrolase domain-containing protein 11; Williams-Beuren syndrome chromosomal region 21 protein
Alternative UPACC:
Q8NFV4; H7BYM8; Q6PJU0; Q8N722; Q8N723; Q8NFV2; Q8NFV3; Q9HBS8
Background:
Protein ABHD11, also known as Alpha/beta hydrolase domain-containing protein 11 and Williams-Beuren syndrome chromosomal region 21 protein, plays a crucial role in cellular processes. Its unique structure, characterized by the alpha/beta hydrolase fold, is essential for its diverse functions in the cell.
Therapeutic significance:
Understanding the role of Protein ABHD11 could open doors to potential therapeutic strategies. Its involvement in key cellular mechanisms makes it a promising target for drug discovery, aiming to modulate its activity for therapeutic benefits.