Focused On-demand Library for DNA replication licensing factor MCM6

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.


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 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

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.


Our library stands out due to several important features:


  • The Receptor.AI platform compiles comprehensive data on the target protein, encompassing previous experiments, literature, known ligands, structural details, and more, leading to a higher chance of selecting the most relevant compounds.

  • Advanced molecular simulations on the platform help pinpoint potential binding sites, making the compounds in our focused library ideal for finding allosteric inhibitors and targeting cryptic pockets.

  • Receptor.AI boasts over 50 tailor-made AI models, rigorously tested and proven in various drug discovery projects and research initiatives. They are crafted for efficacy, dependability, and precision, all of which are key in creating our focused libraries.

  • Beyond creating focused libraries, Receptor.AI offers comprehensive services and complete solutions throughout the preclinical drug discovery phase. Our success-based pricing model minimises risk and maximises the mutual benefits of the project's success.

PARTNER
Receptor.AI
 
UPACC
Q14566

UPID:
MCM6_HUMAN

ALTERNATIVE NAMES:
p105MCM

ALTERNATIVE UPACC:
Q14566; B2R6H2; Q13504; Q99859

BACKGROUND:
The protein DNA replication licensing factor MCM6, alternatively named p105MCM, plays a crucial role in the MCM2-7 complex, essential for 'once per cell cycle' DNA replication in eukaryotic cells. It is a core component of the CDC45-MCM-GINS helicase, facilitating the unwinding of template DNA during replication. The complex's helicase activity is attributed to the differential contribution of six ATPase active sites, formed by the interaction of two neighboring subunits.

THERAPEUTIC SIGNIFICANCE:
Understanding the role of DNA replication licensing factor MCM6 could open doors to potential therapeutic strategies.

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