Focused On-demand Library for Formylglycine-generating enzyme

Focused On-demand Libraries - Receptor.AI 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 Reaxense.


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 employ our advanced, specialised process to create targeted 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
Q8NBK3

UPID:
SUMF1_HUMAN

ALTERNATIVE NAMES:
C-alpha-formylglycine-generating enzyme 1; Sulfatase-modifying factor 1

ALTERNATIVE UPACC:
Q8NBK3; B4DXK5; B7XD05; E9PGL0; G5E9B0; Q0VAC6; Q0VAC7; Q2NL78; Q53ZE4; Q6UY39; Q96AK5; Q96DK8

BACKGROUND:
Formylglycine-generating enzyme, known for its alternative names C-alpha-formylglycine-generating enzyme 1 and Sulfatase-modifying factor 1, is essential for the maturation of sulfatases. It uses molecular oxygen to convert cysteine into 3-oxoalanine (formylglycine), facilitating the activation of key enzymes involved in cellular metabolism.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Formylglycine-generating enzyme could open doors to potential therapeutic strategies. Its involvement in multiple sulfatase deficiency, due to defective SUMF1 gene mutations, presents a unique opportunity for developing treatments that address the root cause of this and possibly other related genetic disorders.

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