Focused On-demand Library for Kallikrein-4

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.


We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated 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 utilise our cutting-edge, exclusive workflow to develop focused 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.


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
Q9Y5K2

UPID:
KLK4_HUMAN

ALTERNATIVE NAMES:
Enamel matrix serine proteinase 1; Kallikrein-like protein 1; Prostase; Serine protease 17

ALTERNATIVE UPACC:
Q9Y5K2; Q4VB16; Q96RU5; Q9GZL6; Q9UBJ6

BACKGROUND:
The protein Kallikrein-4, with alternative names such as Prostase and Serine protease 17, is essential for the proper development and maturation of tooth enamel. It acts by removing enamel proteins and organizing the enamel's crystalline matrix.

THERAPEUTIC SIGNIFICANCE:
Defects in Kallikrein-4 are responsible for the development of Amelogenesis imperfecta, a disease characterized by defective enamel formation. Targeting Kallikrein-4 could offer innovative approaches to treat or manage this genetic condition, enhancing dental health and quality of life.

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