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.
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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing focused 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
P18031
UPID:
PTN1_HUMAN
Alternative names:
Protein-tyrosine phosphatase 1B
Alternative UPACC:
P18031; Q5TGD8; Q9BQV9; Q9NQQ4
Background:
Tyrosine-protein phosphatase non-receptor type 1, also known as Protein-tyrosine phosphatase 1B, plays a pivotal role in regulating the endoplasmic reticulum unfolded protein response. It achieves this by mediating the dephosphorylation of EIF2AK3/PERK, thereby inactivating its protein kinase activity. This protein is also involved in signal transduction cascades induced by CKII and p60c-src, and may influence the EFNA5-EPHA3 signaling pathway, affecting cell reorganization and cell-cell repulsion. Additionally, it has a role in modulating the hepatocyte growth factor receptor signaling pathway through MET dephosphorylation.
Therapeutic significance:
Understanding the role of Tyrosine-protein phosphatase non-receptor type 1 could open doors to potential therapeutic strategies.