Focused On-demand Library for Sodium leak channel NALCN

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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 employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.


Our library distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q8IZF0

UPID:
NALCN_HUMAN

ALTERNATIVE NAMES:
CanIon; Sodium leak channel non-selective protein; Voltage gated channel-like protein 1

ALTERNATIVE UPACC:
Q8IZF0; Q6P2S6; Q6ZMI7; Q8IZZ1; Q8TAH1

BACKGROUND:
Sodium leak channel NALCN, identified by its alternative names CanIon, Sodium leak channel non-selective protein, and Voltage gated channel-like protein 1, is crucial for controlling neuronal excitability. As the core component of the NALCN channel complex, it ensures resting Na(+) permeability. The complex's activity, involving NALCN, NALF1, UNC79, and UNC80, is vital for monovalent cation conduction, influenced by extracellular divalent cations. Beyond neuronal excitability, NALCN is integral to respiratory rhythm, osmoregulation, and gastrointestinal motility.

THERAPEUTIC SIGNIFICANCE:
The association of Sodium leak channel NALCN with conditions like Hypotonia, infantile, with psychomotor retardation and characteristic facies 1, and developmental delays due to congenital contractures, highlights its significance in medical research. Exploring the functions of NALCN offers promising avenues for developing treatments.

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