Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9BV23
UPID:
ABHD6_HUMAN
Alternative names:
2-arachidonoylglycerol hydrolase; Abhydrolase domain-containing protein 6
Alternative UPACC:
Q9BV23; B2R7Y9; Q6ZMF7
Background:
Monoacylglycerol lipase ABHD6, also known as 2-arachidonoylglycerol hydrolase, plays a pivotal role in lipid metabolism by hydrolyzing medium-chain saturated monoacylglycerols, including 2-arachidonoylglycerol. This activity is crucial for regulating endocannabinoid signaling pathways. ABHD6 also exhibits lysophosphatidyl lipase activity, with a preference for lysophosphatidylglycerol, and is the primary enzyme for bis(monoacylglycero)phosphate (BMP) catabolism, a key player in intraluminal vesicle formation and lipid sorting.
Therapeutic significance:
Understanding the role of Monoacylglycerol lipase ABHD6 could open doors to potential therapeutic strategies, especially in disorders related to lipid metabolism and endocannabinoid signaling.