Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher activity, selectivity, and safety.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated by our partner 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 top-notch dedicated system is used to design specialised libraries for enzymes.
Fig. 1. The sreening 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.
Our library stands out due to several important features:
partner
Reaxense
upacc
Q14566
UPID:
MCM6_HUMAN
Alternative names:
p105MCM
Alternative UPACC:
Q14566; B2R6H2; Q13504; Q99859
Background:
DNA replication licensing factor MCM6, also known as p105MCM, 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, unwinding DNA during replication. The MCM2-7 ring's ATPase active sites, essential for helicase activity, are formed through the interaction of neighboring subunits.
Therapeutic significance:
Understanding the role of DNA replication licensing factor MCM6 could open doors to potential therapeutic strategies.