Focused On-demand Library for Claudin-1

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 Reaxense.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted libraries.


 

Fig. 1. The screening 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
Receptor.AI
 
UPACC
O95832

UPID:
CLD1_HUMAN

ALTERNATIVE NAMES:
Senescence-associated epithelial membrane protein

ALTERNATIVE UPACC:
O95832

BACKGROUND:
Claudin-1 is crucial for the integrity of tight junctions in epithelial cells, impacting skin barrier function and water retention. It mediates the permeability of epithelia to ions and small molecules, with its function influenced by the coexpression and interaction with other claudin family members. Additionally, Claudin-1 is indispensable for preventing paracellular diffusion of small molecules.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Claudin-1 could open doors to potential therapeutic strategies. Its direct association with Ichthyosis-sclerosing cholangitis neonatal syndrome and as a receptor for hepatitis C and dengue viruses presents it as a promising target for drug discovery efforts aimed at treating these conditions.

Looking for more information on this library or underlying technology? Fill out the form below and we will be in touch with all the details you need.


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