Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 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.


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


 

Fig. 1. The screening workflow of Receptor.AI

It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost 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
P10696

UPID:
PPBN_HUMAN

ALTERNATIVE NAMES:
ALP-1; Alkaline phosphatase Nagao isozyme; Alkaline phosphatase, placental-like; Germ cell alkaline phosphatase; Placental alkaline phosphatase-like

ALTERNATIVE UPACC:
P10696; A8KAF2; Q16727; Q53S81; Q96CM1

BACKGROUND:
The enzyme Alkaline phosphatase, germ cell type, with its aliases such as Germ cell alkaline phosphatase and Placental alkaline phosphatase-like, is instrumental in the hydrolysis of phosphate compounds. Its function is essential for maintaining phosphate homeostasis in the body, influencing bone health, and facilitating cellular energy transfer.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of Alkaline phosphatase, germ cell type, holds significant promise for identifying novel therapeutic approaches. Given its critical role in phosphate metabolism, research into this enzyme could lead to breakthroughs in treating diseases related to bone mineral density and metabolic disorders.

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