Focused On-demand Library for DNA replication licensing factor MCM4

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.

From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.

The library includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening 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.

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

Reaxense

upacc

P33991

UPID:

MCM4_HUMAN

Alternative names:

CDC21 homolog; P1-CDC21

Alternative UPACC:

P33991; Q8NEH1; Q99658

Background:

DNA replication licensing factor MCM4, also known as CDC21 homolog or P1-CDC21, is a pivotal component of the MCM2-7 complex, essential for initiating and elongating DNA replication in eukaryotic cells. It forms the core of the CDC45-MCM-GINS helicase, unwinding DNA during replication. The MCM4 protein's ATPase activity, critical for its function, arises from the interaction of neighboring subunits within the complex.

Therapeutic significance:

Immunodeficiency 54, a severe disorder marked by growth retardation, microcephaly, and recurrent viral infections, is linked to variants affecting the MCM4 gene. Understanding the role of DNA replication licensing factor MCM4 could open doors to potential therapeutic strategies for this condition.