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.


In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best 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

This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.


Key features that set our library apart include:


  • The Receptor.AI platform integrates extensive information about the target protein, such as historical experiments, academic research, known ligands, and structural insights, thereby increasing the likelihood of identifying highly relevant compounds.

  • The platform’s sophisticated molecular simulations are designed to discover potential binding sites, ensuring that our focused library is optimal for the discovery of allosteric inhibitors and binders for cryptic pockets.

  • With over 50 customisable AI models, verified through extensive testing in commercial drug discovery and research, Receptor.AI is efficient, reliable, and precise. These models are essential in the production of our focused libraries.

  • Receptor.AI not only produces focused libraries but also provides full services and solutions at every stage of preclinical drug discovery, with a success-based pricing structure that aligns our interests with the success of your project.


PARTNER
Receptor.AI
 
UPACC
Q9H1E1

UPID:
RNAS7_HUMAN

ALTERNATIVE NAMES:
Skin-derived antimicrobial protein 2

ALTERNATIVE UPACC:
Q9H1E1; P80927; P83685; Q546N3

BACKGROUND:
Ribonuclease 7, identified as Skin-derived antimicrobial protein 2, exhibits a potent RNase activity, crucial for the body's defense against pathogens. It has demonstrated exceptional antimicrobial activity against a range of microorganisms, including drug-resistant strains such as vancomycin-resistant Enterococcus faecium. The protein's ability to disrupt bacterial membrane integrity, leading to bacterial death, is a key aspect of its function, independent of its RNase activity.

THERAPEUTIC SIGNIFICANCE:
The exploration of Ribonuclease 7's functions could pave the way for novel therapeutic approaches. Given its efficacy against drug-resistant pathogens and role in promoting urinary tract sterility, Ribonuclease 7 presents a promising avenue for the development of innovative antimicrobial treatments.

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