Focused On-demand Library for Arylsulfatase F

Details

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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.


We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
P54793

UPID:
ARSF_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P54793; Q8TCC5

BACKGROUND:
The enzyme Arylsulfatase F, with the unique identifier P54793, is distinguished by its ability to target and hydrolyze 4-methylumbelliferyl sulfate. This specific activity places it within the broader context of sulfatase enzymes, which are critical for the breakdown and recycling of sulfate-containing compounds within the cell.

THERAPEUTIC SIGNIFICANCE:
The exploration of Arylsulfatase F's enzymatic functions holds promise for the development of innovative therapeutic approaches. As this protein is involved in essential cellular degradation pathways, elucidating its mechanisms could lead to breakthroughs in treating diseases linked to metabolic dysfunction or accumulation of sulfated compounds.

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