Focused On-demand Library for Complement factor I

Details

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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.


We use our state-of-the-art dedicated workflow for designing focused 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P05156

UPID:
CFAI_HUMAN

ALTERNATIVE NAMES:
C3B/C4B inactivator

ALTERNATIVE UPACC:
P05156; O60442

BACKGROUND:
The protein Complement factor I, with alternative names including C3B/C4B inactivator, is essential in regulating the immune system by inactivating C3b and C4b in the complement pathways. Its activity is crucial for preventing complement activation on healthy cells, thanks to cofactors like factor H and C4BP, thereby protecting against autoimmune responses.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of Complement factor I could open doors to potential therapeutic strategies for managing complex diseases such as atypical Hemolytic uremic syndrome, Complement factor I deficiency, and age-related Macular degeneration. Targeting this protein could lead to groundbreaking treatments that prevent disease progression and enhance quality of life.

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