Focused On-demand Library for Ferrochelatase, mitochondrial

Details

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.

PARTNER
Receptor.AI
 
UPACC
P22830

UPID:
HEMH_HUMAN

ALTERNATIVE NAMES:
Heme synthase; Protoheme ferro-lyase

ALTERNATIVE UPACC:
P22830; A8KA72; Q8IXN1; Q8NAN0

BACKGROUND:
Ferrochelatase, mitochondrial, known alternatively as Heme synthase or Protoheme ferro-lyase, is essential for heme production, facilitating the final step of inserting ferrous iron into protoporphyrin IX. This enzyme's function is vital across multiple biological processes, including oxygen transport and cellular respiration.

THERAPEUTIC SIGNIFICANCE:
Deficiencies in Ferrochelatase, mitochondrial, are directly associated with Protoporphyria, erythropoietic, 1, a condition marked by severe photosensitivity and protoporphyrin build-up. Targeting the enzymatic activity of Ferrochelatase, mitochondrial, offers a promising avenue for developing novel treatments for this and potentially other related porphyrias.

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