Focused On-demand Library for AP2-associated protein kinase 1

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.


Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by Reaxense.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


We employ our advanced, specialised process to create 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
Q2M2I8

UPID:
AAK1_HUMAN

ALTERNATIVE NAMES:
Adaptor-associated kinase 1

ALTERNATIVE UPACC:
Q2M2I8; Q4ZFZ3; Q53RX6; Q9UPV4

BACKGROUND:
The protein AP2-associated protein kinase 1, known as AAK1, plays a critical role in endocytosis by phosphorylating the AP2M1/mu2 subunit, facilitating the binding of AP-2 to membrane proteins. This kinase activity is essential for the internalization of ligand complexes. AAK1 also influences the phosphorylation and localization of other AP-2 subunits. Its interaction with NUMB and NOTCH1 suggests a broader regulatory role in cellular signaling pathways.

THERAPEUTIC SIGNIFICANCE:
Exploring the functions of AP2-associated protein kinase 1 offers a pathway to novel therapeutic interventions.

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