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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted 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.
Key features that set our library apart include:
partner
Reaxense
upacc
O95154
UPID:
ARK73_HUMAN
Alternative names:
AFB1 aldehyde reductase 2
Alternative UPACC:
O95154; Q86SR4; Q8IVN6; Q8N5V6; Q8TAX1; Q9NUC3
Background:
Aflatoxin B1 aldehyde reductase member 3, also known as AFB1 aldehyde reductase 2, plays a crucial role in detoxifying aflatoxin B1 (AFB1), a potent hepatocarcinogen. This enzyme catalyzes the reduction of the dialdehyde form of AFB1 to a non-binding dialcohol, mitigating its toxic and carcinogenic effects.
Therapeutic significance:
Understanding the role of Aflatoxin B1 aldehyde reductase member 3 could open doors to potential therapeutic strategies, particularly in protecting the liver from carcinogenic substances.