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

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.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 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 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

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.