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 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
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
Q9BX84
UPID:
TRPM6_HUMAN
Alternative names:
Channel kinase 2; Melastatin-related TRP cation channel 6
Alternative UPACC:
Q9BX84; Q6VPR8; Q6VPR9; Q6VPS0; Q6VPS1; Q6VPS2
Background:
Transient receptor potential cation channel subfamily M member 6, also known as Channel kinase 2 and Melastatin-related TRP cation channel 6, plays a pivotal role in magnesium homeostasis. It is essential for magnesium absorption in the gut and kidney, functioning as both an ion channel and a serine/threonine-protein kinase.
Therapeutic significance:
The protein is directly linked to Hypomagnesemia 1, a disorder characterized by impaired intestinal magnesium absorption leading to severe neurological symptoms. Understanding its mechanism could pave the way for targeted therapies to correct magnesium imbalance.