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.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
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
Q5W064
UPID:
LIPJ_HUMAN
Alternative names:
Lipase-like abhydrolase domain-containing protein 1
Alternative UPACC:
Q5W064; A8MT98; Q0P671
Background:
Lipase member J, also known as Lipase-like abhydrolase domain-containing protein 1, plays a crucial role in lipid metabolism. Its unique structure and enzymatic functions facilitate the breakdown and processing of lipids, essential for cellular energy and signaling.
Therapeutic significance:
Understanding the role of Lipase member J could open doors to potential therapeutic strategies. Its involvement in lipid metabolism suggests its potential impact on metabolic disorders, offering a promising avenue for research and drug development.