Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 employ our advanced, specialised process to create targeted 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 stands out due to several important features:
partner
Reaxense
upacc
P28039
UPID:
AOAH_HUMAN
Alternative names:
-
Alternative UPACC:
P28039; A4D1Y5; B7Z490; Q53F13
Background:
Acyloxyacyl hydrolase plays a crucial role in modulating the immune response to bacterial infection. It achieves this by removing secondary fatty acyl chains from the lipid A region of bacterial lipopolysaccharides, a key component of the outer membrane of Gram-negative bacteria. This action helps in terminating the host's response to bacterial infection, thereby preventing prolonged and damaging inflammatory responses.
Therapeutic significance:
Understanding the role of Acyloxyacyl hydrolase could open doors to potential therapeutic strategies. Its ability to modulate immune responses highlights its potential as a target for developing treatments aimed at controlling excessive inflammation caused by bacterial infections.