AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Proton-coupled zinc antiporter SLC30A9, mitochondrial

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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.

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 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

Q6PML9

UPID:

ZNT9_HUMAN

Alternative names:

Human embryonic lung protein; Solute carrier family 30 member 9; Zinc transporter 9

Alternative UPACC:

Q6PML9; Q4W5B6; Q7Z5I7; Q8TBB2; Q9Y6R2

Background:

The Proton-coupled zinc antiporter SLC30A9, mitochondrial, also known as Human embryonic lung protein, Solute carrier family 30 member 9, and Zinc transporter 9, plays a pivotal role in zinc homeostasis. It facilitates the export of zinc from the mitochondria, contributing to zinc mobilization, mitochondrial morphology, and overall health. Additionally, it acts as a secondary coactivator for nuclear receptors, enhancing transcriptional activation of Wnt-responsive genes.

Therapeutic significance:

Given its involvement in Birk-Landau-Perez syndrome, a condition marked by intellectual disability, muscle weakness, and nephropathy, understanding the role of Proton-coupled zinc antiporter SLC30A9 could open doors to potential therapeutic strategies. Its critical function in zinc homeostasis and mitochondrial health underscores its therapeutic potential.

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