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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8N1Q8
UPID:
THEM5_HUMAN
Alternative names:
Acyl-coenzyme A thioesterase 15; Thioesterase superfamily member 5
Alternative UPACC:
Q8N1Q8; Q5T1C3
Background:
Acyl-coenzyme A thioesterase THEM5, also known as Acyl-coenzyme A thioesterase 15 and Thioesterase superfamily member 5, exhibits acyl-CoA thioesterase activity, preferentially targeting long-chain fatty acyl-CoA substrates like linoleoyl-CoA. It plays a pivotal role in mitochondrial fatty acid metabolism and the remodeling of mitochondrial lipid cardiolipin, essential for normal mitochondrial function.
Therapeutic significance:
Understanding the role of Acyl-coenzyme A thioesterase THEM5 could open doors to potential therapeutic strategies.