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 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.
Contained in the library are leading modulators, each labelled with 38 ADME-Tox and 32 physicochemical and drug-likeness qualities. In addition, each compound is illustrated with its optimal docking poses, affinity scores, and activity scores, giving a complete picture.
We use our state-of-the-art dedicated workflow for designing 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.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q6ZVD8
UPID:
PHLP2_HUMAN
Alternative names:
PH domain leucine-rich repeat-containing protein phosphatase-like
Alternative UPACC:
Q6ZVD8; A1L374; Q9NV17; Q9Y2E3
Background:
PH domain leucine-rich repeat-containing protein phosphatase 2 (PHLPP2) plays a pivotal role in cellular processes by regulating the Akt and PKC signaling pathways. It specifically dephosphorylates key serine residues on AKT1, PRKCB, and PRKCA, influencing cell survival, apoptosis, and proliferation. Additionally, PHLPP2's action on STK4 and RPS6KB1 underscores its involvement in apoptosis and cap-dependent translation, respectively.
Therapeutic significance:
Understanding the role of PH domain leucine-rich repeat-containing protein phosphatase 2 could open doors to potential therapeutic strategies. Its ability to inhibit cancer cell proliferation and act as a tumor suppressor, by modulating key signaling pathways, highlights its therapeutic potential in oncology.