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 promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal docking poses, affinity scores, and activity scores, providing a comprehensive overview.
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
P23467
UPID:
PTPRB_HUMAN
Alternative names:
Vascular endothelial protein tyrosine phosphatase
Alternative UPACC:
P23467; B7ZKS8; B7ZKT0; C9JX87; F5H3G6; Q14D85; Q3MIV7
Background:
The Receptor-type tyrosine-protein phosphatase beta, also known as Vascular endothelial protein tyrosine phosphatase, is pivotal in blood vessel remodeling and angiogenesis. It is not required for the initial formation of blood vessels but plays a crucial role in their maintenance and remodeling. This protein induces dephosphorylation of key endothelial markers, regulating angiopoietin-TIE2 signaling and controlling endothelial cell proliferation, which is essential for blood vessel remodeling during embryonic development and determines blood vessel size during perinatal growth.
Therapeutic significance:
Understanding the role of Receptor-type tyrosine-protein phosphatase beta could open doors to potential therapeutic strategies. Its essential function in maintaining endothelial cell contact integrity and the adhesive function of VE-cadherin in endothelial cells highlights its potential as a target for therapeutic intervention in vascular diseases.