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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
We employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
Q99952
UPID:
PTN18_HUMAN
Alternative names:
Brain-derived phosphatase
Alternative UPACC:
Q99952; B4E1E6; Q53P42
Background:
Tyrosine-protein phosphatase non-receptor type 18, also known as Brain-derived phosphatase, plays a pivotal role in cellular processes by differentially dephosphorylating autophosphorylated tyrosine kinases, which are notably overexpressed in tumor tissues. This enzyme's unique ability to modulate kinase activity positions it as a critical regulator in cellular signaling pathways.
Therapeutic significance:
Understanding the role of Tyrosine-protein phosphatase non-receptor type 18 could open doors to potential therapeutic strategies. Its involvement in the dephosphorylation of tyrosine kinases, key players in oncogenic signaling, highlights its potential as a target in cancer therapy, offering a promising avenue for the development of novel anticancer treatments.