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.
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 use our state-of-the-art dedicated workflow for designing focused 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
Q8IZV5
UPID:
RDH10_HUMAN
Alternative names:
Short chain dehydrogenase/reductase family 16C member 4
Alternative UPACC:
Q8IZV5
Background:
Retinol dehydrogenase 10 (RDH10), also known as Short chain dehydrogenase/reductase family 16C member 4, plays a pivotal role in the metabolism of vitamin A. It specifically catalyzes the conversion of all-trans-retinol to all-trans-retinal, a critical reaction in the visual cycle and vitamin A metabolism, with a marked preference for NADP. Unlike other enzymes in its family, RDH10 does not act on 11-cis-retinol, 9-cis-retinol, or 13-cis-retinol.
Therapeutic significance:
Understanding the role of Retinol dehydrogenase 10 could open doors to potential therapeutic strategies. Its specific activity in vitamin A metabolism suggests its involvement in visual function and possibly in disorders related to vitamin A deficiency or excess.