Focused On-demand Libraries - Receptor.AI Collaboration


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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We use our state-of-the-art dedicated workflow for designing focused libraries for ion channels.


 

Fig. 1. The screening workflow of Receptor.AI

It includes extensive molecular simulations of the channel in its native membrane environment in open, closed and inactivated forms and the ensemble virtual screening accounting for conformational mobility in each of these states. Tentative binding pockets are considered inside the pore, in the gating region and in the allosteric locations to cover the whole spectrum of possible mechanisms of action.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
P56696

UPID:
KCNQ4_HUMAN

ALTERNATIVE NAMES:
KQT-like 4; Potassium channel subunit alpha KvLQT4; Voltage-gated potassium channel subunit Kv7.4

ALTERNATIVE UPACC:
P56696; O96025

BACKGROUND:
The protein Kv7.4, also known as Potassium voltage-gated channel subfamily KQT member 4, is integral to the regulation of excitability in neuronal cells. Its function in the cochlea's sensory cells underscores its significance in hearing. The protein's interaction with pharmacological blockers and muscarinic agonists further delineates its regulatory mechanisms.

THERAPEUTIC SIGNIFICANCE:
Given its critical role in the pathogenesis of autosomal dominant deafness, 2A, Kv7.4 represents a promising avenue for drug discovery. Exploring its therapeutic potential could lead to groundbreaking advancements in treating hearing impairments.

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