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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
P30838
UPID:
AL3A1_HUMAN
Alternative names:
ALDHIII; Aldehyde dehydrogenase 3; Aldehyde dehydrogenase family 3 member A1
Alternative UPACC:
P30838; A8K828; Q9BT37
Background:
Aldehyde dehydrogenase, dimeric NADP-preferring (P30838), also known as ALDHIII, Aldehyde dehydrogenase 3, and Aldehyde dehydrogenase family 3 member A1, plays a pivotal role in metabolizing toxic aldehydes into non-toxic substances. It is crucial in the detoxification of alcohol-derived acetaldehyde, metabolism of corticosteroids, biogenic amines, neurotransmitters, and lipid peroxidation. This enzyme preferentially oxidizes aromatic aldehyde substrates and is a significant component of corneal epithelial soluble proteins, protecting the cornea from UV damage.
Therapeutic significance:
Understanding the role of Aldehyde dehydrogenase, dimeric NADP-preferring could open doors to potential therapeutic strategies.