Focused On-demand Library for Metal cation symporter ZIP14

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.

We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate 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 use our state-of-the-art dedicated workflow for designing focused libraries.

Fig. 1. The sreening workflow of Receptor.AI

Utilising molecular simulations, our approach thoroughly examines a wide array of proteins, tracking their conformational changes individually and within complexes. Ensemble virtual screening enables us to address conformational flexibility, revealing essential binding sites at functional regions and allosteric locations. Our rigorous analysis guarantees that no potential mechanism of action is overlooked, aiming to uncover new therapeutic targets and lead compounds 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

Q15043

UPID:

S39AE_HUMAN

Alternative names:

LIV-1 subfamily of ZIP zinc transporter 4; Solute carrier family 39 member 14; Zrt- and Irt-like protein 14

Alternative UPACC:

Q15043; A6NH98; B4DIW3; B6EU88; D3DSR4; Q6ZME8; Q96BB3

Background:

The Metal cation symporter ZIP14, also known as Solute carrier family 39 member 14 and Zrt- and Irt-like protein 14, plays a crucial role in the cellular uptake of divalent metal cations such as zinc, manganese, and iron. These metals are vital for tissue homeostasis, metabolism, development, and immunity. ZIP14 functions as an energy-dependent symporter, facilitating the transport of metal cations alongside bicarbonate anions across cellular membranes. It is also involved in the regulation of insulin receptor signaling and glucose metabolism in hepatocytes.

Therapeutic significance:

ZIP14's involvement in diseases such as Hypermanganesemia with dystonia 2 and Hyperostosis cranialis interna highlights its potential as a target for therapeutic intervention. Understanding the role of ZIP14 could open doors to potential therapeutic strategies, especially in conditions related to metal cation dysregulation.