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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
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.