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.


From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Reaxense aids in their synthesis and provision.


The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.


We employ our advanced, specialised process to create targeted 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 is unique due to several crucial aspects:


  • Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.

  • By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.

  • The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.

  • Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.


PARTNER
Receptor.AI
 
UPACC
P01031

UPID:
CO5_HUMAN

ALTERNATIVE NAMES:
C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4

ALTERNATIVE UPACC:
P01031; Q14CJ0; Q27I61

BACKGROUND:
The protein Complement C5, with alternative names including C3 and PZP-like alpha-2-macroglobulin domain-containing protein 4, is integral to the immune system's defense mechanism. It initiates the assembly of the late complement components, crucial for cell lysis in pathogen defense. C5a, a fragment of C5, is a key mediator of inflammation, promoting various immune responses.

THERAPEUTIC SIGNIFICANCE:
Given its central role in immune response and inflammation, Complement C5 is linked to Complement component 5 deficiency, leading to heightened risk of infections. This connection underscores the therapeutic potential of modulating C5 activity in treating inflammatory and immune-related conditions, making it a focal point for drug discovery efforts.

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