Focused On-demand Library for Zinc transporter ZIP13

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.

We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.

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 utilise our cutting-edge, exclusive workflow to develop focused 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.

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

Q96H72

UPID:

S39AD_HUMAN

Alternative names:

LIV-1 subfamily of ZIP zinc transporter 9; Solute carrier family 39 member 13; Zrt- and Irt-like protein 13

Alternative UPACC:

Q96H72; D3DQR6; D3DQR7; E9PLY1; E9PQV3; Q659D9; Q8N7C9; Q8WV10

Background:

Zinc transporter ZIP13, also known as Solute carrier family 39 member 13, plays a crucial role in regulating zinc levels within cells by transporting Zn(2+) from the Golgi apparatus to the cytosol. This process is vital for maintaining cellular function and integrity. The protein's involvement in beige adipocyte differentiation highlights its potential impact on metabolic processes.

Therapeutic significance:

ZIP13's association with Ehlers-Danlos syndrome, spondylodysplastic type, 3, underscores its clinical importance. This condition, characterized by connective tissue disorders, skeletal dysplasia, and growth retardation, points to the protein's potential as a target for therapeutic intervention. Understanding the role of Zinc transporter ZIP13 could open doors to potential therapeutic strategies.