Focused On-demand Library for DNA replication licensing factor MCM2

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.


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 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.


Several key aspects differentiate our library:


  • Receptor.AI compiles an all-encompassing dataset on the target protein, including historical experiments, literature data, known ligands, and structural insights, maximising the chances of prioritising the most pertinent compounds.

  • The platform employs state-of-the-art molecular simulations to identify potential binding sites, ensuring the focused library is primed for discovering allosteric inhibitors and binders of concealed pockets.

  • Over 50 customisable AI models, thoroughly evaluated in various drug discovery endeavours and research projects, make Receptor.AI both efficient and accurate. This technology is integral to the development of our focused libraries.

  • In addition to generating focused libraries, Receptor.AI offers a full range of services and solutions for every step of preclinical drug discovery, with a pricing model based on success, thereby reducing risk and promoting joint project success.

PARTNER
Receptor.AI
 
UPACC
P49736

UPID:
MCM2_HUMAN

ALTERNATIVE NAMES:
Minichromosome maintenance protein 2 homolog; Nuclear protein BM28

ALTERNATIVE UPACC:
P49736; Q14577; Q15023; Q8N2V1; Q969W7; Q96AE1; Q9BRM7

BACKGROUND:
The DNA replication licensing factor MCM2, known alternatively as Minichromosome maintenance protein 2 homolog or Nuclear protein BM28, is a core component of the MCM2-7 complex, crucial for DNA replication in eukaryotic cells. It functions within the CDC45-MCM-GINS helicase, facilitating DNA unwinding for replication. MCM2 is vital for the transition into the S phase of the cell cycle and for successful cell division. Additionally, it contributes to the development and apoptosis of cochlear hair cells, indicating its importance in auditory functions.

THERAPEUTIC SIGNIFICANCE:
The involvement of DNA replication licensing factor MCM2 in Deafness, autosomal dominant, 70, underscores its potential as a target for therapeutic intervention. Exploring the mechanisms by which MCM2 influences hearing loss and cell cycle processes offers promising avenues for developing treatments for sensorineural deafness and related disorders.

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