Focused On-demand Library for Hepcidin

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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 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 use our state-of-the-art dedicated workflow for designing focused libraries.


 

Fig. 1. The screening 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.


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
P81172

UPID:
HEPC_HUMAN

ALTERNATIVE NAMES:
Liver-expressed antimicrobial peptide 1; Putative liver tumor regressor

ALTERNATIVE UPACC:
P81172; Q1HE14; Q9BY68

BACKGROUND:
Hepcidin plays a critical role in iron homeostasis, acting as the main circulating regulator of iron across tissues. By facilitating the endocytosis and degradation of ferroportin, it ensures the retention of iron in cells and manages its plasma levels. Its antimicrobial properties further contribute to its biological significance, offering protection against various pathogens.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Hepcidin could open doors to potential therapeutic strategies. Its involvement in Hemochromatosis 2B highlights its importance in managing iron overload conditions. By exploring Hepcidin's function, researchers can develop targeted therapies to mitigate the effects of iron deposition diseases, improving patient outcomes.

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