Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library distinguishes itself through several key aspects:
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.