Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We use our state-of-the-art dedicated workflow for designing focused 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 stands out due to several important features:
partner
Reaxense
upacc
Q9H0W9
UPID:
CK054_HUMAN
Alternative names:
-
Alternative UPACC:
Q9H0W9; A8K850; Q6FI88; Q6XYB0; Q96EI3; Q96IX1; Q9Y6B4
Background:
Ester hydrolase C11orf54, encoded by the gene with the accession number Q9H0W9, is known for its ester hydrolase activity, specifically on the substrate p-nitrophenyl acetate. This enzyme plays a crucial role in the hydrolysis of ester bonds, a fundamental biochemical process in various biological systems.
Therapeutic significance:
Understanding the role of Ester hydrolase C11orf54 could open doors to potential therapeutic strategies. Its enzymatic activity suggests a pivotal function in metabolic pathways, which, if modulated, could offer novel approaches to treating diseases.