Focused On-demand Library for Proton-coupled zinc antiporter SLC30A2

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

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 strategy employs molecular simulations to explore an extensive range of proteins, capturing their dynamics both individually and within complexes with other proteins. Through ensemble virtual screening, we address proteins' conformational mobility, uncovering key binding sites at both functional regions and remote allosteric locations. This comprehensive investigation ensures a thorough assessment of all potential mechanisms of action, with the goal of discovering innovative therapeutic targets and lead molecules across across diverse biological functions.

Key features that set our library apart include:

The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.
The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.
With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.
Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

partner

Reaxense

upacc

Q9BRI3

UPID:

ZNT2_HUMAN

Alternative names:

Solute carrier family 30 member 2; Zinc transporter 2

Alternative UPACC:

Q9BRI3; Q71RC8

Background:

The Proton-coupled zinc antiporter SLC30A2, also known as Zinc transporter 2, plays a pivotal role in maintaining cellular zinc homeostasis. It functions as an electroneutral proton-coupled antiporter, concentrating zinc ions into various intracellular organelles, including endosomes, zymogen granules, and mitochondria. This protein is essential for protecting cells against zinc's potential cytotoxicity and regulates the zinc concentration in milk, crucial for infant growth.

Therapeutic significance:

Transient neonatal zinc deficiency, a disorder linked to SLC30A2, highlights the protein's critical role in infant nutrition and immune function. Understanding the role of Proton-coupled zinc antiporter SLC30A2 could open doors to potential therapeutic strategies for managing zinc-related disorders.