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 pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by Reaxense.


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.


Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.


 

Fig. 1. The screening 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 distinguishes itself through several key aspects:


  • The Receptor.AI platform integrates all available data about the target protein, including past experiments, literature data, known ligands, structural information and more. This consolidated approach maximises the probability of prioritising highly relevant compounds.

  • The platform uses sophisticated molecular simulations to identify possible binding sites so that the compounds in the focused library are suitable for discovering allosteric inhibitors and the binders for cryptic pockets.

  • The platform integrates over 50 highly customisable AI models, which are thoroughly tested and validated on a multitude of commercial drug discovery programs and research projects. It is designed to be efficient, reliable and accurate. All this power is utilised when producing the focused libraries.

  • In addition to producing the focused libraries, Receptor.AI provides services and end-to-end solutions at every stage of preclinical drug discovery. The pricing model is success-based, which reduces your risks and leverages the mutual benefits of the project's success.


PARTNER
Receptor.AI
 
UPACC
Q9UJA3

UPID:
MCM8_HUMAN

ALTERNATIVE NAMES:
Minichromosome maintenance 8

ALTERNATIVE UPACC:
Q9UJA3; B2RBG7; D3DW08; E7EQU7; Q495R4; Q495R6; Q495R7; Q86US4; Q969I5

BACKGROUND:
The MCM8-MCM9 complex, with DNA helicase MCM8 at its core, is indispensable for the repair of DNA damages such as double-stranded breaks and interstrand cross-links via homologous recombination. MCM8's function extends to stabilizing MCM9 and possibly playing a role in DNA replication initiation by interacting with the prereplicative complex.

THERAPEUTIC SIGNIFICANCE:
Given its pivotal role in DNA repair and potential involvement in gametogenesis, DNA helicase MCM8's dysfunction is associated with Premature ovarian failure 10. Exploring the functions of MCM8 offers promising avenues for developing treatments for genetic disorders affecting ovarian function.

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