Focused On-demand Library for DNA replication licensing factor MCM7

Focused On-demand Libraries - Reaxense 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.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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.

Our top-notch dedicated system is used to design specialised libraries for enzymes.

Fig. 1. The sreening 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.

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

Reaxense

upacc

P33993

UPID:

MCM7_HUMAN

Alternative names:

CDC47 homolog; P1.1-MCM3

Alternative UPACC:

P33993; A4D2A1; A4D2A2; E9PGN9; Q15076; Q96D34; Q96GL1

Background:

DNA replication licensing factor MCM7, also known as CDC47 homolog and P1.1-MCM3, is a pivotal component of the MCM2-7 complex, the replicative helicase necessary for DNA replication initiation and elongation in eukaryotic cells. It forms a core part of the CDC45-MCM-GINS helicase, crucial for unwinding DNA during replication. The MCM7 protein, through its interaction with adjacent subunits, contributes to the formation of active ATPase sites essential for the helicase activity of the complex.

Therapeutic significance:

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