Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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.
We utilise our cutting-edge, exclusive workflow to develop focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P48547
UPID:
KCNC1_HUMAN
Alternative names:
NGK2; Voltage-gated potassium channel subunit Kv3.1; Voltage-gated potassium channel subunit Kv4
Alternative UPACC:
P48547; K4DI87; Q3KNS8
Background:
Potassium voltage-gated channel subfamily C member 1 (P48547), also known as NGK2, Kv3.1, and Kv4, is crucial for the rapid repolarization of fast-firing brain neurons. It forms potassium-selective channels, vital for maintaining the electrochemical gradient across neuronal membranes, enabling high-frequency action potentials in pallidal neurons.
Therapeutic significance:
Linked to Epilepsy, progressive myoclonic 7 (EPM7), a disorder marked by myoclonic epilepsy and cognitive decline, this protein's genetic variants underscore its clinical relevance. Understanding its role could unveil new therapeutic strategies for managing EPM7.