Focused On-demand Library for Apolipoprotein E

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.


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 high-tech, dedicated method is applied to construct targeted 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
P02649

UPID:
APOE_HUMAN

ALTERNATIVE NAMES:
-

ALTERNATIVE UPACC:
P02649; B2RC15; C0JYY5; Q9P2S4

BACKGROUND:
Apolipoprotein E, a critical component of lipoprotein particles, mediates lipid transport and plays a crucial role in maintaining lipid and cholesterol homeostasis. Its ability to bind to a wide range of cellular receptors facilitates the uptake of lipoprotein particles, highlighting its importance in lipid metabolism.

THERAPEUTIC SIGNIFICANCE:
The association of APOE with various diseases, including cardiovascular and neurodegenerative disorders, underscores its significance in drug discovery. Exploring APOE's functions and its disease associations opens doors to potential therapeutic strategies, particularly in the treatment of Alzheimer's disease and lipid metabolism disorders.

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