Focused On-demand Library for Sodium leak channel NALCN

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.

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

The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.

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

Fig. 1. The sreening workflow of Receptor.AI

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.

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

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:

The Sodium leak channel NALCN, also known as CanIon, Sodium leak channel non-selective protein, and Voltage gated channel-like protein 1, plays a pivotal role in neuronal excitability. It is the voltage-sensing, pore-forming subunit of the NALCN channel complex, which is essential for the resting Na(+) permeability. This channel complex, including NALCN, NALF1, UNC79, and UNC80, is constitutively active, conducting monovalent cations but blocked by extracellular divalent cations. NALCN's functions extend to regulating respiratory rhythm, systemic osmoregulation, and intestinal pace-making activity.

Therapeutic significance:

NALCN's involvement in diseases such as Hypotonia, infantile, with psychomotor retardation and characteristic facies 1, and Congenital contractures of the limbs and face, hypotonia, and developmental delay, underscores its therapeutic potential. Understanding the role of Sodium leak channel NALCN could open doors to potential therapeutic strategies for these neurodegenerative and developmental disorders.