Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 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 use our state-of-the-art dedicated workflow for designing 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6N021
UPID:
TET2_HUMAN
Alternative names:
-
Alternative UPACC:
Q6N021; B5MDU0; Q2TB88; Q3LIB8; Q96JX5; Q9HCM6; Q9NXW0
Background:
Methylcytosine dioxygenase TET2 plays a pivotal role in epigenetic regulation by converting 5-methylcytosine into 5-hydroxymethylcytosine, facilitating active DNA demethylation. This process is crucial for transcriptional regulation and maintaining genomic stability.
Therapeutic significance:
TET2's involvement in diseases such as Polycythemia vera, Myelodysplastic syndrome, and Immunodeficiency 75 with lymphoproliferation highlights its potential as a therapeutic target. Understanding TET2's role could lead to novel treatments for these hematopoietic disorders.