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.
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
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.
Key features that set our library apart include:
partner
Reaxense
upacc
Q8NFU7
UPID:
TET1_HUMAN
Alternative names:
CXXC-type zinc finger protein 6; Leukemia-associated protein with a CXXC domain; Ten-eleven translocation 1 gene protein
Alternative UPACC:
Q8NFU7; A0A023HHK9; A0A023HHL0; Q5VUP7; Q7Z6B6; Q8TCR1; Q9C0I7
Background:
Methylcytosine dioxygenase TET1, known for its roles as CXXC-type zinc finger protein 6 and Ten-eleven translocation 1 gene protein, is pivotal in active DNA demethylation. It catalyzes the conversion of 5-methylcytosine into derivatives, influencing chromatin regulation, gene expression, and various biological processes such as stem cell maintenance and neural activity. TET1's involvement extends to embryonic development, influencing cell lineage commitment and DNA repair mechanisms.
Therapeutic significance:
Understanding the role of Methylcytosine dioxygenase TET1 could open doors to potential therapeutic strategies. Its fundamental role in DNA demethylation and gene expression regulation highlights its potential as a target in diseases where these processes are disrupted.