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 ion channels.
Fig. 1. The sreening workflow of Receptor.AI
This includes extensive molecular simulations of the ion channel in its native membrane environment, in open, closed, and inactivated forms, paired with ensemble virtual screening that factors in conformational mobility in each state. Tentative binding pockets are considered in the pore, the gating region, and allosteric areas to capture the full range of mechanisms of action.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P15382
UPID:
KCNE1_HUMAN
Alternative names:
Delayed rectifier potassium channel subunit IsK; IKs producing slow voltage-gated potassium channel subunit beta Mink; Minimal potassium channel
Alternative UPACC:
P15382; A5H1P2; Q8N709; Q91Z94
Background:
Potassium voltage-gated channel subfamily E member 1, also known as Delayed rectifier potassium channel subunit IsK, plays a crucial role in cardiac electrical activity. It modulates the gating kinetics and enhances stability of voltage-gated potassium channel complexes, crucial for heart rhythm regulation.
Therapeutic significance:
Linked to Jervell and Lange-Nielsen syndrome 2 and Long QT syndrome 5, this protein's understanding could lead to novel treatments for these life-threatening cardiac disorders.