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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
Q32NB8
UPID:
PGPS1_HUMAN
Alternative names:
Phosphatidylglycerophosphate synthase 1
Alternative UPACC:
Q32NB8; B7ZA32; Q8IYK9; Q8TA85; Q96A75; Q9H7G9; Q9NPW7
Background:
CDP-diacylglycerol--glycerol-3-phosphate 3-phosphatidyltransferase, mitochondrial, also known as Phosphatidylglycerophosphate synthase 1, plays a crucial role in the biosynthesis of anionic phospholipids phosphatidylglycerol and cardiolipin. These lipids are essential for mitochondrial function and cellular energy metabolism.
Therapeutic significance:
Understanding the role of Phosphatidylglycerophosphate synthase 1 could open doors to potential therapeutic strategies. Its involvement in phospholipid biosynthesis suggests its importance in maintaining cellular health and energy balance.