Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
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.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Key features that set our library apart include:
partner
Reaxense
upacc
O00743
UPID:
PPP6_HUMAN
Alternative names:
-
Alternative UPACC:
O00743; B2R5V6; B7Z2W9; B7Z5K9; Q5U0A2; Q9UIC9
Background:
Serine/threonine-protein phosphatase 6 catalytic subunit (PP6) plays a pivotal role in various cellular processes, including cell cycle progression, mitosis, and innate immune defense. It acts by dephosphorylating key components such as MAP3K7 in the IL1 signaling pathway and RIGI in viral defense mechanisms. Additionally, PP6 regulates the cGAS-STING pathway by inactivating CGAS and STING1, crucial for innate immunity.
Therapeutic significance:
Understanding the role of Serine/threonine-protein phosphatase 6 catalytic subunit could open doors to potential therapeutic strategies.