Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q8NHP1
UPID:
ARK74_HUMAN
Alternative names:
AFB1 aldehyde reductase 3; Aldoketoreductase 7-like
Alternative UPACC:
Q8NHP1; Q5U614
Background:
Aflatoxin B1 aldehyde reductase member 4, also known as AFB1 aldehyde reductase 3 and Aldoketoreductase 7-like, plays a crucial role in detoxifying aflatoxin B1 (AFB1), a potent hepatocarcinogen. By reducing the dialdehyde form of AFB1 to a non-binding dialcohol, this protein contributes significantly to liver protection against AFB1's toxic and carcinogenic effects.
Therapeutic significance:
Understanding the role of Aflatoxin B1 aldehyde reductase member 4 could open doors to potential therapeutic strategies.