Focused On-demand Library for 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3

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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


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.


Our top-notch dedicated system is used to design specialised 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.


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
Q01970

UPID:
PLCB3_HUMAN

ALTERNATIVE NAMES:
Phosphoinositide phospholipase C-beta-3; Phospholipase C-beta-3

ALTERNATIVE UPACC:
Q01970; A5PKZ6; G5E960; Q8N1A4

BACKGROUND:
The enzyme 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, known alternatively as Phosphoinositide phospholipase C-beta-3 or Phospholipase C-beta-3, is integral to the production of DAG and IP3. These molecules are essential for the propagation of signals from hormones and growth factors to the cell.

THERAPEUTIC SIGNIFICANCE:
Mutations in this protein are associated with the rare genetic condition Spondylometaphyseal dysplasia with corneal dystrophy, characterized by growth and skeletal abnormalities. The exploration of 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3's function offers promising avenues for developing novel therapeutic interventions.

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