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 features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q96RG2
UPID:
PASK_HUMAN
Alternative names:
-
Alternative UPACC:
Q96RG2; G5E9F1; Q05BE4; Q68DY3; Q6GSJ5; Q86XH6; Q99763; Q9UFR7
Background:
The PAS domain-containing serine/threonine-protein kinase plays a pivotal role in energy homeostasis and protein translation. It is known for phosphorylating key proteins such as EEF1A1, GYS1, PDX1, and RPS6, adapting to environmental changes like oxygen, glucose, and nutrition levels. Its involvement in glycogen synthesis regulation, insulin production, and protein translation efficiency highlights its critical function in cellular metabolism and respiratory regulation.
Therapeutic significance:
Understanding the role of PAS domain-containing serine/threonine-protein kinase could open doors to potential therapeutic strategies.