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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q9NUZ1
UPID:
ACOXL_HUMAN
Alternative names:
-
Alternative UPACC:
Q9NUZ1; A2RRB7; B7WPB3; B7WPP7; E9PB20; Q53R27; Q53R31; Q53SC6; Q8TCE7
Background:
Acyl-coenzyme A oxidase-like protein, identified by the accession number Q9NUZ1, plays a crucial role in the metabolism of fatty acids within cells. Its enzymatic activity is pivotal for the beta-oxidation pathway, a metabolic process that breaks down fatty acids to generate acetyl-CoA, a key molecule in energy production.
Therapeutic significance:
Understanding the role of Acyl-coenzyme A oxidase-like protein could open doors to potential therapeutic strategies. Its involvement in fatty acid metabolism suggests its potential impact on metabolic disorders, offering a promising avenue for the development of treatments targeting metabolic syndromes.