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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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.
Our library stands out due to several important features:
partner
Reaxense
upacc
P30837
UPID:
AL1B1_HUMAN
Alternative names:
Aldehyde dehydrogenase 5; Aldehyde dehydrogenase family 1 member B1
Alternative UPACC:
P30837; B2R8F0; Q8WX76; Q9BV45
Background:
Aldehyde dehydrogenase X, mitochondrial, also known as Aldehyde dehydrogenase 5 and Aldehyde dehydrogenase family 1 member B1, plays a pivotal role in the detoxification of alcohol-derived acetaldehyde. It is crucial in the metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation processes.
Therapeutic significance:
Understanding the role of Aldehyde dehydrogenase X, mitochondrial could open doors to potential therapeutic strategies.