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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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
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
Q9NV23
UPID:
SAST_HUMAN
Alternative names:
Augmented in rheumatoid arthritis 1; Oleoyl-ACP hydrolase; Thioesterase 2; Thioesterase II; Thioesterase domain-containing protein 1
Alternative UPACC:
Q9NV23; Q5VUB6; Q9NUW1
Background:
The S-acyl fatty acid synthase thioesterase, medium chain, known by alternative names such as Augmented in rheumatoid arthritis 1, Oleoyl-ACP hydrolase, and Thioesterase domain-containing protein 1, plays a crucial role in lipid metabolism. It is instrumental in the release of free fatty acids from fatty acid synthase (FASN), showcasing broad substrate specificity. This enzyme facilitates the production of a variety of free fatty acids, with chain lengths ranging from 10 to 16 carbon atoms (C10 - C16).
Therapeutic significance:
Understanding the role of S-acyl fatty acid synthase thioesterase, medium chain, could open doors to potential therapeutic strategies. Its pivotal function in lipid metabolism makes it a compelling target for the development of treatments for metabolic disorders.