Focused On-demand Library for Pseudouridine-5'-phosphatase

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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 includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


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


 

Fig. 1. The screening 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
Q08623

UPID:
HDHD1_HUMAN

ALTERNATIVE NAMES:
Haloacid dehalogenase-like hydrolase domain-containing protein 1; Haloacid dehalogenase-like hydrolase domain-containing protein 1A; Protein GS1; Pseudouridine-5'-monophosphatase

ALTERNATIVE UPACC:
Q08623; B2R7X6; B4DV93; B7Z6Q3; E9PAV8; F5GWZ2; Q53F84; Q96EB8

BACKGROUND:
The enzyme Pseudouridine-5'-phosphatase, with aliases such as Protein GS1 and Pseudouridine-5'-monophosphatase, is pivotal in the metabolism of pseudouridine. It catalyzes the dephosphorylation of pseudouridine 5'-phosphate, a likely intermediary in the breakdown of rRNA, facilitating its excretion in urine.

THERAPEUTIC SIGNIFICANCE:
Exploring the function of Pseudouridine-5'-phosphatase offers a promising avenue for the development of novel therapeutic approaches. Its critical involvement in the metabolism of pseudouridine and rRNA degradation pathways could be key in designing drugs that target these specific mechanisms.

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