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.
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.
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 use our state-of-the-art dedicated workflow for designing focused libraries.
Fig. 1. The sreening workflow of Receptor.AI
Our methodology employs molecular simulations to explore a wide array of proteins, capturing their dynamic states both individually and within complexes. Through ensemble virtual screening, we address conformational mobility, uncovering binding sites within functional regions and remote allosteric locations. This thorough exploration ensures no potential mechanism of action is overlooked, aiming to discover novel therapeutic targets and lead compounds across an extensive spectrum of biological functions.
Several key aspects differentiate our library:
partner
Reaxense
upacc
O43525
UPID:
KCNQ3_HUMAN
Alternative names:
KQT-like 3; Potassium channel subunit alpha KvLQT3; Voltage-gated potassium channel subunit Kv7.3
Alternative UPACC:
O43525; A2VCT8; B4DJY4; E7EQ89
Background:
Potassium voltage-gated channel subfamily KQT member 3, also known as Kv7.3, plays a pivotal role in neuronal excitability. By forming a potassium channel with KCNQ2 or KCNQ5, it contributes to the M-current, crucial for the subthreshold electrical excitability of neurons and their response to synaptic inputs. This channel's selectivity extends beyond potassium, accommodating other cations with varying affinities.
Therapeutic significance:
Linked to Seizures, benign familial neonatal 2, Kv7.3's dysfunction underscores its clinical relevance. Understanding its role could pave the way for innovative treatments targeting neonatal seizure disorders, offering hope for affected families.