Focused On-demand Library for Metal cation symporter ZIP8

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.

Our high-tech, dedicated method is applied to construct targeted 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.

Several key aspects differentiate our library:

Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.
The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.
Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.
In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

partner

Reaxense

upacc

Q9C0K1

UPID:

S39A8_HUMAN

Alternative names:

BCG-induced integral membrane protein in monocyte clone 103 protein; LIV-1 subfamily of ZIP zinc transporter 6; Solute carrier family 39 member 8; Zrt- and Irt-like protein 8

Alternative UPACC:

Q9C0K1; B4E2H3; Q96SM9; Q9BVC0; Q9NSA4

Background:

The Metal cation symporter ZIP8, also known as Solute carrier family 39 member 8, plays a pivotal role in transporting divalent metal cations like zinc and manganese across the plasma membrane. These cations are crucial for various physiological processes including development, tissue homeostasis, and immunity. ZIP8 functions by transporting an electroneutral complex composed of a divalent metal cation and bicarbonate anions, contributing to the cellular uptake of essential nutrients like selenium, and also transporting non-essential, toxic metals such as cadmium.

Therapeutic significance:

ZIP8's involvement in congenital disorder of glycosylation 2N, a condition characterized by under-glycosylated serum glycoproteins leading to a wide array of clinical features, underscores its therapeutic potential. Targeting ZIP8's function could pave the way for novel treatments for this disorder and possibly other related conditions, highlighting the importance of understanding its role in disease mechanisms.