Focused On-demand Library for Sodium channel protein type 10 subunit alpha

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.


We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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

This includes extensive molecular simulations of the ion channel in its native membrane environment, in open, closed, and inactivated forms, paired with ensemble virtual screening that factors in conformational mobility in each state. Tentative binding pockets are considered in the pore, the gating region, and allosteric areas to capture the full range of mechanisms of action.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q9Y5Y9

UPID:
SCNAA_HUMAN

ALTERNATIVE NAMES:
Peripheral nerve sodium channel 3; Sodium channel protein type X subunit alpha; Voltage-gated sodium channel subunit alpha Nav1.8

ALTERNATIVE UPACC:
Q9Y5Y9; A6NDQ1

BACKGROUND:
Sodium channel protein type 10 subunit alpha, known alternatively as Peripheral nerve sodium channel 3 and Voltage-gated sodium channel subunit alpha Nav1.8, is crucial for mediating the voltage-dependent sodium ion permeability across excitable membranes. It operates by assuming opened or closed conformations based on the membrane's voltage difference, facilitating sodium ion passage in accordance with their electrochemical gradient.

THERAPEUTIC SIGNIFICANCE:
Dysfunction in this protein is associated with Episodic pain syndrome, familial, 2, marked by adult-onset of paroxysmal pain affecting mainly the lower extremities. Insights into its role offer promising avenues for developing targeted pain management therapies.

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