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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
We utilise our cutting-edge, exclusive workflow to develop 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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q14839
UPID:
CHD4_HUMAN
Alternative names:
ATP-dependent helicase CHD4; Mi-2 autoantigen 218 kDa protein; Mi2-beta
Alternative UPACC:
Q14839; Q8IXZ5
Background:
Chromodomain-helicase-DNA-binding protein 4 (CHD4), also known as ATP-dependent helicase CHD4, plays a pivotal role in DNA remodeling and repair. It is a key component of the NuRD complex, influencing chromatin structure to facilitate transcriptional repression and double-strand break repair. CHD4's ability to bind and distort nucleosomal DNA underscores its significance in maintaining genomic integrity.
Therapeutic significance:
CHD4's involvement in Sifrim-Hitz-Weiss syndrome, characterized by intellectual disability and congenital defects, highlights its potential as a therapeutic target. Understanding CHD4's role could pave the way for innovative treatments for this syndrome and other related genetic disorders.