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.
Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner 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
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 is unique due to several crucial aspects:
partner
Reaxense
upacc
P35813
UPID:
PPM1A_HUMAN
Alternative names:
Protein phosphatase 2C isoform alpha; Protein phosphatase IA
Alternative UPACC:
P35813; B5BU11; J3KNM0; O75551
Background:
Protein phosphatase 1A, also known as Protein phosphatase 2C isoform alpha and Protein phosphatase IA, plays a pivotal role in cellular processes. It exhibits broad specificity, crucially regulating TGF-beta signaling by dephosphorylating SMAD2 and SMAD3. This action results in their dissociation from SMAD4, leading to the termination of TGF-beta-mediated signaling. Additionally, it dephosphorylates PRKAA1 and PRKAA2 and is instrumental in ending TNF-alpha-mediated NF-kappa-B activation by inactivating IKBKB/IKKB.
Therapeutic significance:
Understanding the role of Protein phosphatase 1A could open doors to potential therapeutic strategies.