AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium channel protein type 3 subunit alpha

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense 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.

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

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.

Our top-notch dedicated system is used to design specialised libraries for ion channels.

 Fig. 1. The sreening workflow of Receptor.AI

This process includes comprehensive molecular simulations of the ion channel in its native membrane environment, depicting its open, closed, and inactivated states, and ensemble virtual screening that accounts for conformational mobility in each state. Tentative binding pockets are investigated inside the pore, at the gating region, and in allosteric sites to cover the full spectrum of possible mechanisms of action.

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

Q9NY46

UPID:

SCN3A_HUMAN

Alternative names:

Sodium channel protein brain III subunit alpha; Sodium channel protein type III subunit alpha; Voltage-gated sodium channel subtype III; Voltage-gated sodium channel subunit alpha Nav1.3

Alternative UPACC:

Q9NY46; Q16142; Q53SX0; Q9BZB3; Q9C006; Q9NYK2; Q9P2J1; Q9UPD1; Q9Y6P4

Background:

The Sodium channel protein type 3 subunit alpha, known by its alternative names such as Sodium channel protein brain III subunit alpha and Voltage-gated sodium channel subtype III, plays a pivotal role in mediating the voltage-dependent sodium ion permeability of excitable membranes. This protein transitions between opened or closed conformations in response to voltage differences across the membrane, establishing a sodium-selective channel that facilitates Na(+) ions movement according to their electrochemical gradient.

Therapeutic significance:

Linked to diseases like Epilepsy, familial focal, with variable foci 4 and Developmental and epileptic encephalopathy 62, this protein's variants significantly impact neurological health. Understanding its role could lead to groundbreaking therapeutic strategies for these conditions, highlighting its importance in drug discovery for epilepsy and related neurological disorders.

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