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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
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.
Our top-notch dedicated system is used to design specialised libraries for ion channels.
Fig. 1. The sreening workflow of Receptor.AI
It includes extensive molecular simulations of the channel in its native membrane environment in open, closed and inactivated forms and the ensemble virtual screening accounting for conformational mobility in each of these states. Tentative binding pockets are considered inside the pore, in the gating region and in the allosteric locations to cover the whole spectrum of possible mechanisms of action.
Key features that set our library apart include:
partner
Reaxense
upacc
Q09470
UPID:
KCNA1_HUMAN
Alternative names:
Voltage-gated K(+) channel HuKI; Voltage-gated potassium channel HBK1; Voltage-gated potassium channel subunit Kv1.1
Alternative UPACC:
Q09470; A6NM83; Q3MIQ9
Background:
Potassium voltage-gated channel subfamily A member 1 (Kv1.1), encoded by the KCNA1 gene, is pivotal in mediating potassium transport across excitable membranes. It plays a crucial role in regulating membrane potential and nerve signaling, thus preventing neuronal hyperexcitability. Kv1.1 can form both homotetrameric and heterotetrameric channels, influencing its electrical properties and functional responses.
Therapeutic significance:
Kv1.1 is linked to Episodic ataxia 1 and Myokymia isolated 1, diseases characterized by ataxia, dysarthria, and involuntary muscle contractions. Understanding the role of Kv1.1 could open doors to potential therapeutic strategies for these neurological disorders.