AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium channel protein type 9 subunit alpha

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We utilise our cutting-edge, exclusive workflow to develop focused libraries for ion channels.

 Fig. 1. The sreening 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.

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

Reaxense

upacc

Q15858

UPID:

SCN9A_HUMAN

Alternative names:

Neuroendocrine sodium channel; Peripheral sodium channel 1; Sodium channel protein type IX subunit alpha; Voltage-gated sodium channel subunit alpha Nav1.7

Alternative UPACC:

Q15858; A1BUH5; Q6B4R9; Q6B4S0; Q6B4S1; Q70HX1; Q70HX2; Q8WTU1; Q8WWN4

Background:

The Sodium channel protein type 9 subunit alpha, also known as Nav1.7, plays a crucial role in the voltage-dependent sodium ion permeability of excitable membranes. It transitions between opened or closed conformations in response to voltage changes, forming a sodium-selective channel. This protein is pivotal in pain perception mechanisms, particularly in inflammatory pain.

Therapeutic significance:

Nav1.7 is linked to several autosomal disorders, including Primary erythermalgia, Indifference to pain, congenital, autosomal recessive, and Paroxysmal extreme pain disorder. These associations highlight its potential as a target for developing treatments for pain disorders and conditions involving sodium ion channel dysfunctions.

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