Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We employ our advanced, specialised process to create targeted 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
O95870
UPID:
ABHGA_HUMAN
Alternative names:
Alpha/beta hydrolase domain-containing protein 16A; HLA-B-associated transcript 5; Monoacylglycerol lipase ABHD16A; Protein G5
Alternative UPACC:
O95870; A2BEY3; B7Z4R6; Q5SRR1; Q5SRR2; Q8WYH0; Q9NW33
Background:
Phosphatidylserine lipase ABHD16A, also known as Alpha/beta hydrolase domain-containing protein 16A, HLA-B-associated transcript 5, Monoacylglycerol lipase ABHD16A, and Protein G5, plays a crucial role in lipid metabolism. It mediates the hydrolysis of phosphatidylserine to generate lysophosphatidylserine, a signaling lipid involved in immunological and neurological processes. Additionally, ABHD16A exhibits monoacylglycerol lipase activity, with a preference for specific lipid substrates.
Therapeutic significance:
Given its involvement in neurodegenerative disorders like Spastic paraplegia 86, autosomal recessive, characterized by progressive weakness and spasticity of the lower limbs, understanding the role of Phosphatidylserine lipase ABHD16A could open doors to potential therapeutic strategies.