Focused On-demand Library for DNA replication licensing factor MCM5

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.


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 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 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
P33992

UPID:
MCM5_HUMAN

ALTERNATIVE NAMES:
CDC46 homolog; P1-CDC46

ALTERNATIVE UPACC:
P33992; O60785; Q14578; Q9BTJ4; Q9BWL8

BACKGROUND:
The DNA replication licensing factor MCM5 plays a crucial role in the cell cycle, acting as a core component of the replicative helicase necessary for DNA replication. Its activity is characterized by the differential contribution of six ATPase active sites, essential for the unwinding of DNA. This protein is also known by alternative names such as CDC46 homolog and P1-CDC46.

THERAPEUTIC SIGNIFICANCE:
The involvement of DNA replication licensing factor MCM5 in Meier-Gorlin syndrome 8 highlights its potential as a target for therapeutic intervention. By elucidating the protein's function and its link to disease, researchers can pave the way for developing treatments aimed at mitigating the symptoms associated with this syndrome.

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