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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
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.
We utilise our cutting-edge, exclusive workflow to develop focused 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
O60706
UPID:
ABCC9_HUMAN
Alternative names:
Sulfonylurea receptor 2
Alternative UPACC:
O60706; O60707
Background:
ATP-binding cassette sub-family C member 9 (ABCC9), also known as Sulfonylurea receptor 2, plays a crucial role in forming ATP-sensitive potassium channels (KATP) in cardiac and smooth muscle. These channels are essential for regulating potassium flow, impacting heart function and muscle contraction.
Therapeutic significance:
ABCC9's involvement in diseases such as dilated cardiomyopathy, familial atrial fibrillation, hypertrichotic osteochondrodysplasia, and intellectual disability and myopathy syndrome highlights its potential as a therapeutic target. Understanding ABCC9's role could lead to novel treatments for these conditions.