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 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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P51648
UPID:
AL3A2_HUMAN
Alternative names:
Aldehyde dehydrogenase 10; Fatty aldehyde dehydrogenase; Microsomal aldehyde dehydrogenase
Alternative UPACC:
P51648; Q6I9T3; Q93011; Q96J37
Background:
Aldehyde dehydrogenase family 3 member A2, also known as Fatty aldehyde dehydrogenase and Microsomal aldehyde dehydrogenase, plays a crucial role in lipid metabolism. It catalyzes the oxidation of medium and long-chain aliphatic aldehydes into fatty acids, impacting various biological processes. This enzyme is particularly active on aldehydes ranging from 6 to 24 carbons in length, including the conversion of hexadecenal derived from sphingosine 1-phosphate degradation to hexadecenoic acid.
Therapeutic significance:
The enzyme's dysfunction is linked to Sjoegren-Larsson syndrome, a condition marked by intellectual disability, spastic di- or tetraplegia, congenital ichthyosis, and other severe symptoms. Understanding the role of Aldehyde dehydrogenase family 3 member A2 could open doors to potential therapeutic strategies for this debilitating disorder.