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.
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 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.
Our high-tech, dedicated method is applied to construct 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9NUJ1
UPID:
ABHDA_HUMAN
Alternative names:
Acyl-protein thioesterase ABHD10; Alpha/beta hydrolase domain-containing protein 10; Mycophenolic acid acyl-glucuronide esterase, mitochondrial
Alternative UPACC:
Q9NUJ1; B7Z6A8; C9IZX5; D3DN63; Q8TCF9
Background:
Palmitoyl-protein thioesterase ABHD10, mitochondrial, also known as Acyl-protein thioesterase ABHD10 and Mycophenolic acid acyl-glucuronide esterase, plays a crucial role in cellular processes. It hydrolyzes fatty acids from acylated proteins, modulating mitochondrial antioxidant capabilities by regulating the S-depalmitoylation of peroxiredoxin-5/PRDX5. Additionally, it is involved in the metabolism of mycophenolic acid acyl-glucuronide, an immunosuppressant drug metabolite.
Therapeutic significance:
Understanding the role of Palmitoyl-protein thioesterase ABHD10 could open doors to potential therapeutic strategies.