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.
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.
Our high-tech, dedicated method is applied to construct 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q53GQ0
UPID:
DHB12_HUMAN
Alternative names:
17-beta-hydroxysteroid dehydrogenase 12; 3-ketoacyl-CoA reductase; Estradiol 17-beta-dehydrogenase 12; Short chain dehydrogenase/reductase family 12C member 1
Alternative UPACC:
Q53GQ0; A8K9B0; D3DR23; Q96EA9; Q96JU2; Q9Y6G8
Background:
Very-long-chain 3-oxoacyl-CoA reductase, known alternatively as 17-beta-hydroxysteroid dehydrogenase 12, plays a crucial role in the elongation of long-chain fatty acids. This enzyme operates within the endoplasmic reticulum, catalyzing the reduction of 3-ketoacyl-CoA to 3-hydroxyacyl-CoA, a key step in the production of very long-chain fatty acids (VLCFAs). VLCFAs serve as precursors for membrane lipids and lipid mediators, essential for cellular function and signaling.
Therapeutic significance:
Understanding the role of Very-long-chain 3-oxoacyl-CoA reductase could open doors to potential therapeutic strategies.