Focused On-demand Library for Formylglycine-generating enzyme

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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 our partner 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.

Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance 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

Reaxense

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:

The Formylglycine-generating enzyme, also known as C-alpha-formylglycine-generating enzyme 1 or Sulfatase-modifying factor 1, plays a pivotal role in the post-translational modification of sulfatases. It catalyzes the conversion of cysteine to 3-oxoalanine (formylglycine), a critical step in the activation of several sulfatases, including arylsulfatases and alkaline phosphatases.

Therapeutic significance:

Multiple sulfatase deficiency, a disorder resulting from mutations in the SUMF1 gene, underscores the enzyme's crucial role. This condition highlights the enzyme's potential as a target for therapeutic intervention, aiming to correct the underlying genetic and biochemical defects.