Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
Our top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9H2S1
UPID:
KCNN2_HUMAN
Alternative names:
KCa2.2
Alternative UPACC:
Q9H2S1; A6NF94; Q0VFZ4; Q6PJI0; Q6X2Y2
Background:
Small conductance calcium-activated potassium channel protein 2 (KCa2.2) plays a pivotal role in neuronal excitability regulation. It forms a voltage-independent potassium channel activated by intracellular calcium, leading to membrane hyperpolarization. This process is crucial for the slow component of synaptic afterhyperpolarization, influencing neuronal signaling.
Therapeutic significance:
KCa2.2 is implicated in Dystonia 34, myoclonic, and neurodevelopmental disorders with or without movement or behavioral abnormalities. These associations highlight its potential as a target for therapeutic intervention in neurological conditions characterized by involuntary muscle contractions, developmental delays, and intellectual disabilities.