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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
P00325
UPID:
ADH1B_HUMAN
Alternative names:
Alcohol dehydrogenase 1B; Alcohol dehydrogenase subunit beta
Alternative UPACC:
P00325; A8MYN5; B4DRS9; B4DVC3; Q13711; Q4ZGI9; Q96KI7
Background:
All-trans-retinol dehydrogenase [NAD(+)] ADH1B, also known as Alcohol dehydrogenase 1B and Alcohol dehydrogenase subunit beta, plays a pivotal role in retinoid metabolism. It catalyzes the NAD-dependent oxidation of all-trans-retinol and its derivatives, contributing significantly to the biological processes involving vitamin A. The enzyme exhibits a preference for the oxidative direction, showcasing higher efficiency in this pathway.
Therapeutic significance:
Understanding the role of All-trans-retinol dehydrogenase [NAD(+)] ADH1B could open doors to potential therapeutic strategies. Its involvement in retinoid metabolism suggests its potential impact on conditions related to vitamin A deficiency or excess, offering a promising avenue for research into novel treatments.