Focused On-demand Library for DNA replication licensing factor MCM4

Focused On-demand Libraries - Receptor.AI Collaboration


Explore the Potential with AI-Driven Innovation

Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.


Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.


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
P33991

UPID:
MCM4_HUMAN

ALTERNATIVE NAMES:
CDC21 homolog; P1-CDC21

ALTERNATIVE UPACC:
P33991; Q8NEH1; Q99658

BACKGROUND:
The DNA replication licensing factor MCM4 plays a crucial role in the MCM2-7 complex, integral for DNA replication in eukaryotic cells. As part of the CDC45-MCM-GINS helicase, it is responsible for unwinding DNA, a process essential for replication. The protein's unique ATPase activity is a result of interactions between subunits, highlighting its importance in the replication process.

THERAPEUTIC SIGNIFICANCE:
Linked to Immunodeficiency 54, a disorder characterized by severe growth issues, microcephaly, and recurrent infections, the MCM4 gene's variants underscore the protein's clinical relevance. Exploring the function of DNA replication licensing factor MCM4 could lead to novel therapeutic approaches for affected individuals.

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