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.
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.
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 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.
Our library is unique due to several crucial aspects:
partner
Reaxense
upacc
P60510
UPID:
PP4C_HUMAN
Alternative names:
Protein phosphatase X
Alternative UPACC:
P60510; P33172
Background:
Serine/threonine-protein phosphatase 4 catalytic subunit (PPP4C), also known as Protein phosphatase X, plays a pivotal role in various cellular processes. These include microtubule organization, spliceosomal snRNP maturation, apoptosis, DNA repair, and signaling pathways such as TNF-alpha, MAPK8 activation, and NF-kappa-B activation. PPP4C forms complexes, such as PPP4C-PPP4R1 and PPP4C-PPP4R2-PPP4R3A, which are crucial for histone acetylation regulation, DNA damage repair, and cell migration.
Therapeutic significance:
Understanding the role of Serine/threonine-protein phosphatase 4 catalytic subunit could open doors to potential therapeutic strategies.