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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We utilise our cutting-edge, exclusive workflow to develop 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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96LJ7
UPID:
DHRS1_HUMAN
Alternative names:
Short chain dehydrogenase/reductase family 19C member 1
Alternative UPACC:
Q96LJ7; D3DS71; Q8NDG3; Q96B59; Q96CQ5
Background:
Dehydrogenase/reductase SDR family member 1, also known as Short chain dehydrogenase/reductase family 19C member 1, is a pivotal enzyme in the metabolism of steroids and xenobiotics. It functions as an NADPH-dependent oxidoreductase, facilitating the reduction of various substrates including estrone, androstene-3,17-dione, cortisone, prostaglandin E1, and isatin. This enzyme's activity underscores its essential role in the intricate biochemical pathways that modulate steroid levels and detoxify foreign substances.
Therapeutic significance:
Understanding the role of Dehydrogenase/reductase SDR family member 1 could open doors to potential therapeutic strategies. Its involvement in steroid and xenobiotic metabolism positions it as a key target for interventions aimed at modulating hormonal balances and enhancing the body's capacity to neutralize harmful compounds.