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.
Our top-notch dedicated system is used to design specialised libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q9Y3Q4
UPID:
HCN4_HUMAN
Alternative names:
-
Alternative UPACC:
Q9Y3Q4; Q9UMQ7
Background:
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 plays a pivotal role in heart and neuronal pacemaker mechanisms. It functions as a hyperpolarization-activated ion channel, contributing to the regulation of heart beat rhythm and potentially mediating responses to sour stimuli.
Therapeutic significance:
Linked to Sick sinus syndrome 2, Brugada syndrome 8, and Epilepsy, idiopathic generalized 18, this protein's understanding could pave the way for innovative treatments targeting heart rhythm disorders and epilepsy.