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.
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.
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 utilise our cutting-edge, exclusive workflow to develop 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
A2A3K4
UPID:
PTPC1_HUMAN
Alternative names:
-
Alternative UPACC:
A2A3K4; Q5T3M4; Q6NXE8; Q8IWM1; Q8N1X4; Q8N9F5
Background:
Protein tyrosine phosphatase domain-containing protein 1, identified by the accession number A2A3K4, is implicated in crucial cellular processes, including cilia formation and maintenance. Cilia are essential for cell motility, fluid movement, and signaling pathways, highlighting the protein's significance in cellular functionality.
Therapeutic significance:
Understanding the role of Protein tyrosine phosphatase domain-containing protein 1 could open doors to potential therapeutic strategies. Its involvement in cilia-related functions suggests a foundational role in cellular health and disease prevention.