Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner Reaxense.
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 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q05469
UPID:
LIPS_HUMAN
Alternative names:
Monoacylglycerol lipase LIPE; Retinyl ester hydrolase
Alternative UPACC:
Q05469; Q3LRT2; Q6NSL7
Background:
Hormone-sensitive lipase, also known as Monoacylglycerol lipase LIPE and Retinyl ester hydrolase, plays a pivotal role in lipid metabolism. It exhibits broad substrate specificity, efficiently hydrolyzing triacylglycerols, diacylglycerols, monoacylglycerols, cholesteryl esters, and retinyl esters. This enzyme is crucial in adipose tissue and heart for breaking down stored triglycerides into free fatty acids and in steroidogenic tissues for converting cholesteryl esters into free cholesterol, essential for steroid hormone production.
Therapeutic significance:
Hormone-sensitive lipase's involvement in Lipodystrophy, familial partial, 6, characterized by abnormal fat distribution and metabolic complications, underscores its therapeutic potential. Targeting this enzyme could lead to innovative treatments for metabolic disorders, offering hope for patients suffering from lipodystrophy and related conditions.