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.
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 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
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P08243
UPID:
ASNS_HUMAN
Alternative names:
Cell cycle control protein TS11; Glutamine-dependent asparagine synthetase
Alternative UPACC:
P08243; A4D1I8; B4DXZ1; B7ZAA9; D6W5R3; E9PCI3; E9PCX6; P08184; Q15666; Q549T9; Q96HD0
Background:
Asparagine synthetase [glutamine-hydrolyzing], also known as Cell cycle control protein TS11 and Glutamine-dependent asparagine synthetase, plays a pivotal role in amino acid biosynthesis. This enzyme is essential for the synthesis of asparagine from aspartic acid, utilizing glutamine as an ammonia source.
Therapeutic significance:
Asparagine synthetase deficiency, a severe neurologic disorder characterized by microcephaly, delayed psychomotor development, and progressive encephalopathy, is directly linked to mutations in the asparagine synthetase gene. Understanding the role of Asparagine synthetase could open doors to potential therapeutic strategies for this condition.