Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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.