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.
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 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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9UKG9
UPID:
OCTC_HUMAN
Alternative names:
-
Alternative UPACC:
Q9UKG9; A4D1D6; E7EQF2; Q86V17; Q8IUW9; Q9Y6I2
Background:
Peroxisomal carnitine O-octanoyltransferase plays a crucial role in the beta-oxidation of fatty acids, with a preference for substrates ranging from C6 to C10 chain length. It is instrumental in converting 4,8-dimethylnonanoyl-CoA, a product of pristanic acid beta oxidation, into its corresponding carnitine ester, facilitating its transport and further metabolism.
Therapeutic significance:
Understanding the role of Peroxisomal carnitine O-octanoyltransferase could open doors to potential therapeutic strategies. Its pivotal function in fatty acid metabolism highlights its potential as a target for disorders related to lipid metabolism.