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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
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.