Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our high-tech, dedicated method is applied to construct targeted 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P07098
UPID:
LIPF_HUMAN
Alternative names:
-
Alternative UPACC:
P07098; B7Z723; F5H1P4; Q2M1P6; Q5VXI7; Q5VXI8; Q658L8
Background:
Gastric triacylglycerol lipase plays a crucial role in lipid metabolism by catalyzing the hydrolysis of triacylglycerols into free fatty acids, diacylglycerol, monoacylglycerol, and glycerol. This enzyme exhibits a preference for acting at the sn-3 position of triacylglycerol, highlighting its specificity in lipid digestion processes.
Therapeutic significance:
Understanding the role of Gastric triacylglycerol lipase could open doors to potential therapeutic strategies. Its pivotal function in lipid metabolism makes it a compelling target for addressing disorders related to lipid digestion and absorption.