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

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced activity, selectivity, and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We use our state-of-the-art dedicated workflow for designing focused 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.

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

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.