Focused On-demand Library for Lactoperoxidase

Details

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 carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Reaxense helps in synthesizing and delivering these compounds.


The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.


We employ our advanced, specialised process to create targeted libraries for enzymes.


 

Fig. 1. The screening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize 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
P22079

UPID:
PERL_HUMAN

ALTERNATIVE NAMES:
Salivary peroxidase

ALTERNATIVE UPACC:
P22079; A5JUY4; E7EMJ3; Q13408; Q3KNQ2

BACKGROUND:
Lactoperoxidase, identified by its alternative name Salivary peroxidase, functions as a heme-containing oxidoreductase. It is instrumental in converting thiocyanate and iodide to potent antimicrobial agents with hydrogen peroxide. Its antibacterial properties are effective against organisms like Pseudomonas aeruginosa, Burkholderia cepacia, and Haemophilus influenzae. Found in secretions of the mammary and salivary glands, it contributes significantly to the body's defense against infections.

THERAPEUTIC SIGNIFICANCE:
The exploration of Lactoperoxidase's role could lead to groundbreaking therapeutic strategies. Given its crucial function in the body's defense system and its potential in regulating hydrogen peroxide levels to prevent cellular damage and inflammation, Lactoperoxidase stands as a promising target for developing treatments aimed at bolstering the immune response.

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