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.
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
Q13469
UPID:
NFAC2_HUMAN
Alternative names:
NFAT pre-existing subunit; T-cell transcription factor NFAT1
Alternative UPACC:
Q13469; B5B2N8; B5B2N9; B5B2P0; B5B2P2; B5B2P3; Q13468; Q5TFW7; Q5TFW8; Q9NPX6; Q9NQH3; Q9UJR2
Background:
Nuclear factor of activated T-cells, cytoplasmic 2 (NFATC2), also known as NFAT pre-existing subunit and T-cell transcription factor NFAT1, plays a pivotal role in T-cell activation and the inducible expression of cytokine genes, including IL-2, IL-3, IL-4, TNF-alpha, and GM-CSF. It also promotes invasive migration through GPC6 expression and the WNT5A signaling pathway, and negatively regulates chondrogenesis.
Therapeutic significance:
NFATC2's involvement in joint contractures, osteochondromas, and B-cell lymphoma highlights its potential as a therapeutic target. Understanding the role of NFATC2 could open doors to potential therapeutic strategies for these conditions.