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 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 employ our advanced, specialised process to create 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 stands out due to several important features:
partner
Reaxense
upacc
P29074
UPID:
PTN4_HUMAN
Alternative names:
Protein-tyrosine phosphatase MEG1
Alternative UPACC:
P29074; B2RBV8; Q9UDA7
Background:
Tyrosine-protein phosphatase non-receptor type 4, also known as Protein-tyrosine phosphatase MEG1, plays a pivotal role in various physiological processes including immunity, learning, synaptic plasticity, and cell homeostasis. It is instrumental in regulating neuronal cell homeostasis by safeguarding neurons against apoptosis and modulating TLR4-induced interferon beta production through dephosphorylation of adapter TICAM2. Additionally, it negatively regulates TCR-mediated signaling by dephosphorylating the TCR zeta subunit's ITAMs.
Therapeutic significance:
Understanding the role of Tyrosine-protein phosphatase non-receptor type 4 could open doors to potential therapeutic strategies.