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.
The compounds are cherry-picked from the vast virtual chemical space of over 60B molecules. The synthesis and delivery of compounds is facilitated 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 distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q05209
UPID:
PTN12_HUMAN
Alternative names:
PTP-PEST; Protein-tyrosine phosphatase G1
Alternative UPACC:
Q05209; A4D1C5; B4DKY2; E9PBR5; E9PEH9; Q16130; Q59FD6; Q75MN8; Q86XU4
Background:
Tyrosine-protein phosphatase non-receptor type 12, also known as PTP-PEST and Protein-tyrosine phosphatase G1, plays a pivotal role in cellular signaling by dephosphorylating a variety of proteins. It specifically targets cellular tyrosine kinases like ERBB2 and PTK2B/PYK2, crucial for signaling pathways. This protein selectively dephosphorylates ERBB2 at key tyrosine residues, influencing cellular processes.
Therapeutic significance:
Understanding the role of Tyrosine-protein phosphatase non-receptor type 12 could open doors to potential therapeutic strategies. Its ability to regulate key signaling pathways by dephosphorylation makes it a significant target for drug discovery, aiming to modulate cellular functions and address diseases with dysregulated signaling.