AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Sodium/hydrogen exchanger 6

Available from Reaxense
Predicted by Alphafold

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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.

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.

 Fig. 1. The sreening workflow of Receptor.AI

Our methodology leverages molecular simulations to examine a vast array of proteins, capturing their dynamics in both isolated forms and in complexes with other proteins. Through ensemble virtual screening, we thoroughly account for the protein's conformational mobility, identifying critical binding sites within functional regions and distant allosteric locations. This detailed exploration ensures that we comprehensively assess every possible mechanism of action, with the objective of identifying novel therapeutic targets and lead compounds that span a wide spectrum of biological functions.

Several key aspects differentiate our library:

  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q92581

UPID:

SL9A6_HUMAN

Alternative names:

Na(+)/H(+) exchanger 6; Solute carrier family 9 member 6

Alternative UPACC:

Q92581; A6NIQ9; A8K160; B4DU30; B7ZAE0; Q3ZCW7; Q5JPP8; Q5JPP9; Q86VS0; Q8WYK8

Background:

Sodium/hydrogen exchanger 6 (SLC9A6), also known as Na(+)/H(+) exchanger 6, plays a pivotal role in regulating endosomal pH by mediating the exchange of endosomal luminal H(+) for cytosolic Na(+) or K(+). This action limits luminal acidification, essential for endosome maturation and trafficking. Furthermore, SLC9A6 is crucial for neurodevelopment, influencing synaptic development and plasticity, and maintains cell polarity by modulating intravesicular pH.

Therapeutic significance:

SLC9A6's involvement in Intellectual developmental disorder, X-linked, syndromic, Christianson type, characterized by intellectual disability, epilepsy, ataxia, and microcephaly, underscores its therapeutic significance. Understanding SLC9A6's role could unveil novel therapeutic strategies for managing this syndrome and potentially other neurodevelopmental disorders.

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