Focused On-demand Library for Potassium voltage-gated channel subfamily KQT member 3

Focused On-demand Libraries - Reaxense Collaboration

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 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.

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

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:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

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.