Focused On-demand Library for Sodium/potassium/calcium exchanger 4

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

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.

Fig. 1. The sreening workflow of Receptor.AI

By deploying molecular simulations, our approach comprehensively covers a broad array of proteins, tracking their flexibility and dynamics individually and within complexes. Ensemble virtual screening is utilised to take into account conformational dynamics, identifying pivotal binding sites located within functional regions and at allosteric locations. This thorough exploration ensures that every conceivable mechanism of action is considered, aiming to identify new therapeutic targets and advance lead compounds throughout a vast spectrum of biological functions.

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

Q8NFF2

UPID:

NCKX4_HUMAN

Alternative names:

Na(+)/K(+)/Ca(2+)-exchange protein 4; Solute carrier family 24 member 4

Alternative UPACC:

Q8NFF2; B4DHE7; B9ZVY2; Q8N8U6; Q8NCX1; Q8NFF0; Q8NFF1

Background:

Sodium/potassium/calcium exchanger 4, also known as Na(+)/K(+)/Ca(2+)-exchange protein 4 or Solute carrier family 24 member 4, plays a crucial role in ion exchange across membranes. It facilitates the transport of 1 Ca(2+) and 1 K(+) in exchange for 4 Na(+), a process vital for cellular functions. This protein is instrumental in terminating rapid responses and regulating adaptation in olfactory sensory neurons, impacting odor perception. Additionally, it is implicated in calcium transport during amelogenesis, essential for proper enamel formation.

Therapeutic significance:

The protein's involvement in Amelogenesis imperfecta, hypomaturation type, 2A5, a condition characterized by defective enamel formation, highlights its therapeutic potential. Understanding the role of Sodium/potassium/calcium exchanger 4 could open doors to potential therapeutic strategies for treating enamel formation disorders and improving dental health.