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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for ion channels.
Fig. 1. The sreening workflow of Receptor.AI
The method involves in-depth molecular simulations of the ion channel in its native membrane environment, including its open, closed, and inactivated states, along with ensemble virtual screening that focuses on conformational mobility for each state. Tentative binding pockets are identified inside the pore, in the gating area, and at allosteric sites to address every conceivable mechanism of action.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q12791
UPID:
KCMA1_HUMAN
Alternative names:
BK channel; BKCA alpha; Calcium-activated potassium channel, subfamily M subunit alpha-1; K(VCA)alpha; KCa1.1; Maxi K channel; Slo-alpha; Slo1; Slowpoke homolog
Alternative UPACC:
Q12791; F8WA96; Q12886; Q12917; Q12921; Q12960; Q13150; Q5JQ23; Q5SQR9; Q96LG8; Q9UBB0; Q9UCX0; Q9UQK6
Background:
The Calcium-activated potassium channel subunit alpha-1, known as KCa1.1 or BK channel, plays a pivotal role in cellular excitability. By mediating K+ export in response to membrane depolarization and cytosolic Ca2+ increase, it contributes to the repolarization of the membrane potential. Its activity is crucial in various systems, including smooth muscle contraction, cochlear hair cell tuning, neurotransmitter release, and innate immunity.
Therapeutic significance:
KCa1.1 is implicated in several neurological disorders, including Paroxysmal nonkinesigenic dyskinesia, Epilepsy, idiopathic generalized 16, and Liang-Wang syndrome. Understanding the role of KCa1.1 could open doors to potential therapeutic strategies for these conditions.