AI-ACCELERATED DRUG DISCOVERY

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

Available from Reaxense
Predicted by Alphafold

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.

The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 top-notch dedicated system is used to design specialised libraries for enzymes.

 Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Reaxense

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:

Pseudouridine-5'-phosphatase, also known by alternative names such as Haloacid dehalogenase-like hydrolase domain-containing protein 1, plays a crucial role in cellular processes by dephosphorylating pseudouridine 5'-phosphate. This action is a potential step in rRNA degradation, leading to the excretion of pseudouridine intact in urine.

Therapeutic significance:

Understanding the role of Pseudouridine-5'-phosphatase could open doors to potential therapeutic strategies. Its unique function in rRNA degradation and pseudouridine metabolism presents an intriguing target for drug discovery, aiming to modulate these pathways for therapeutic benefit.

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