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.
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 utilise our cutting-edge, exclusive workflow to develop focused 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:
partner
Reaxense
upacc
P49736
UPID:
MCM2_HUMAN
Alternative names:
Minichromosome maintenance protein 2 homolog; Nuclear protein BM28
Alternative UPACC:
P49736; Q14577; Q15023; Q8N2V1; Q969W7; Q96AE1; Q9BRM7
Background:
DNA replication licensing factor MCM2, also known as Minichromosome maintenance protein 2 homolog and Nuclear protein BM28, is a pivotal component of the MCM2-7 complex. This complex is essential for initiating and elongating DNA replication once per cell cycle in eukaryotic cells. MCM2 plays a crucial role in unwinding template DNA during replication as part of the CDC45-MCM-GINS helicase, around which the replisome is constructed. It is indispensable for S phase entry and cell division, and is involved in the development of terminally differentiated hair cells in the cochlea.
Therapeutic significance:
Given its role in DNA replication and cell division, DNA replication licensing factor MCM2's dysfunction is linked to Deafness, autosomal dominant, 70, characterized by progressive hearing loss. Understanding the role of DNA replication licensing factor MCM2 could open doors to potential therapeutic strategies for hearing impairment and conditions associated with cell cycle dysregulation.