AI-ACCELERATED DRUG DISCOVERY

Focused On-demand Library for Proton-coupled zinc antiporter SLC30A5

Available from Reaxense
Predicted by Alphafold

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.

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.

Our high-tech, dedicated method is applied to construct 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

Q8TAD4

UPID:

ZNT5_HUMAN

Alternative names:

Solute carrier family 30 member 5; Zinc transporter 5; ZnT-like transporter 1

Alternative UPACC:

Q8TAD4; B7ZM89; Q6UX54; Q7L4M4; Q8TDG3; Q9BVY8; Q9H9H1

Background:

The Proton-coupled zinc antiporter SLC30A5, also known as Zinc transporter 5 and ZnT-like transporter 1, plays a pivotal role in zinc ion homeostasis. It functions alongside SLC30A6, facilitating zinc entry into organelle lumens along the secretory pathway. This process is crucial for the activation and proper folding of various enzymes, including those involved in alkaline phosphatase activity and phosphatidylinositol glycan anchor biosynthesis. Additionally, SLC30A5 is instrumental in the transport of zinc into pancreatic beta-cell secretory granules, thereby regulating insulin storage and secretion.

Therapeutic significance:

Understanding the role of Proton-coupled zinc antiporter SLC30A5 could open doors to potential therapeutic strategies.

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