Focused On-demand Library for Zinc transporter ZIP4

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 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.

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

Q6P5W5

UPID:

S39A4_HUMAN

Alternative names:

Solute carrier family 39 member 4; Zrt- and Irt-like protein 4

Alternative UPACC:

Q6P5W5; Q7L5S5; Q9H6T8; Q9NXC4

Background:

The Zinc transporter ZIP4, also known as Solute carrier family 39 member 4 and Zrt- and Irt-like protein 4, is pivotal in zinc homeostasis. It selectively transports Zn(2+) across cell membranes, crucial for dietary zinc absorption in the small intestine. Its activity is finely tuned by zinc availability, ensuring cellular zinc levels are maintained within a narrow physiological range. ZIP4 also exhibits the capacity to transport other divalent cations such as Cu(2+), Cd(2+), and possibly Ni(2+) under certain conditions.

Therapeutic significance:

ZIP4's dysfunction is directly linked to Acrodermatitis enteropathica, a rare autosomal recessive disorder characterized by zinc deficiency. This condition underscores the critical role of ZIP4 in zinc absorption and the immune system, highlighting its potential as a therapeutic target for managing zinc-related disorders.