Focused On-demand Library for DNA replication licensing factor MCM7

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.


The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by Reaxense.


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 utilise our cutting-edge, exclusive workflow to develop 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.


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
P33993

UPID:
MCM7_HUMAN

ALTERNATIVE NAMES:
CDC47 homolog; P1.1-MCM3

ALTERNATIVE UPACC:
P33993; A4D2A1; A4D2A2; E9PGN9; Q15076; Q96D34; Q96GL1

BACKGROUND:
The protein DNA replication licensing factor MCM7, known alternatively as CDC47 homolog and P1.1-MCM3, plays a critical role in the MCM2-7 complex, essential for 'once per cell cycle' DNA replication in eukaryotic cells. It is a key component of the CDC45-MCM-GINS helicase, facilitating the unwinding of template DNA during replication. MCM7's interaction with neighboring subunits forms active ATPase sites, crucial for the complex's helicase activity, indicating its significant role in DNA replication processes.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of DNA replication licensing factor MCM7 could open doors to potential therapeutic strategies.

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