Focused On-demand Library for Tight junction protein ZO-2

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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.

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

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

Q9UDY2

UPID:

ZO2_HUMAN

Alternative names:

Tight junction protein 2; Zona occludens protein 2; Zonula occludens protein 2

Alternative UPACC:

Q9UDY2; A2A3H9; B7Z2R8; B7Z7T6; F5H301; F5H886; Q15883; Q5VXL0; Q5VXL1; Q8N756; Q8NI14; Q99839; Q9UDY0; Q9UDY1

Background:

Tight junction protein ZO-2, also known as Zona occludens protein 2, plays a crucial role in maintaining cell polarity and signal transduction by participating in tight and adherens junctions. Its involvement in RANKL-induced osteoclast differentiation highlights its significance in bone metabolism.

Therapeutic significance:

Linked to familial Hypercholanemia and progressive familial intrahepatic Cholestasis, ZO-2's study offers insights into liver disease mechanisms. Understanding the role of Tight junction protein ZO-2 could open doors to potential therapeutic strategies for these conditions.