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 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 distinguishes itself through several key 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.