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 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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O43488
UPID:
ARK72_HUMAN
Alternative names:
AFB1 aldehyde reductase 1; Aldoketoreductase 7; Succinic semialdehyde reductase
Alternative UPACC:
O43488; O75749; Q5TG63
Background:
Aflatoxin B1 aldehyde reductase member 2, also known as AFB1 aldehyde reductase 1, Aldoketoreductase 7, and Succinic semialdehyde reductase, plays a pivotal role in cellular defense mechanisms. It catalyzes the NADPH-dependent reduction of various aldehydes, including succinic semialdehyde to gamma-hydroxybutyrate (GHB), and exhibits broad substrate specificity. This enzyme is instrumental in detoxifying harmful substances like aflatoxin B1, a potent hepatocarcinogen, by converting it into less toxic forms.
Therapeutic significance:
Understanding the role of Aflatoxin B1 aldehyde reductase member 2 could open doors to potential therapeutic strategies.