Focused On-demand Library for DNA helicase MCM8

Focused On-demand Libraries - Reaxense 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.

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.

Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.

We use our state-of-the-art dedicated workflow for designing focused libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage 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

Q9UJA3

UPID:

MCM8_HUMAN

Alternative names:

Minichromosome maintenance 8

Alternative UPACC:

Q9UJA3; B2RBG7; D3DW08; E7EQU7; Q495R4; Q495R6; Q495R7; Q86US4; Q969I5

Background:

DNA helicase MCM8, also known as Minichromosome maintenance 8, plays a crucial role in DNA repair mechanisms. It is a key component of the MCM8-MCM9 complex, involved in the repair of double-stranded DNA breaks and DNA interstrand cross-links through homologous recombination. This protein is essential for DNA resection, facilitating the recruitment and nuclease activity of the MRN complex at repair sites, and indirectly influences RAD51's recruitment to DNA damage sites.

Therapeutic significance:

Premature ovarian failure 10, a condition characterized by the early cessation of ovarian function, is linked to variants affecting the MCM8 gene. Understanding the role of DNA helicase MCM8 could open doors to potential therapeutic strategies for this and related ovarian disorders.