Focused On-demand Library for Proton-coupled zinc antiporter SLC30A1

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.

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.

The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.

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.

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

Q9Y6M5

UPID:

ZNT1_HUMAN

Alternative names:

Solute carrier family 30 member 1; Zinc transporter 1

Alternative UPACC:

Q9Y6M5; Q0VAK9; Q9BZF6

Background:

The Proton-coupled zinc antiporter SLC30A1, also known as Zinc transporter 1 and Solute carrier family 30 member 1, plays a crucial role in zinc homeostasis. It functions as a zinc ion:proton antiporter, facilitating zinc efflux from cells to prevent intracellular zinc accumulation and toxicity. Additionally, SLC30A1 modulates the expression of L-type calcium channels by preventing the transport of their regulatory subunit, CACNB2, to the plasma membrane, thereby controlling calcium and zinc influx, as well as heavy metal entry into cells.

Therapeutic significance:

Understanding the role of Proton-coupled zinc antiporter SLC30A1 could open doors to potential therapeutic strategies.