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.
From a virtual chemical space containing more than 60 billion molecules, we precisely choose certain compounds. Our collaborator, Reaxense, aids in their synthesis and provision.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
Our high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library stands out due to several important features:
partner
Reaxense
upacc
P16298
UPID:
PP2BB_HUMAN
Alternative names:
CAM-PRP catalytic subunit; Calmodulin-dependent calcineurin A subunit beta isoform
Alternative UPACC:
P16298; P16299; Q5F2F9; Q8N1F0; Q8N3W4
Background:
The Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform, also known as CAM-PRP catalytic subunit and Calmodulin-dependent calcineurin A subunit beta isoform, is pivotal in intracellular Ca(2+)-mediated signal transduction. It dephosphorylates TFEB, facilitating lysosomal biogenesis, activates NFATC1, inactivates ELK1, and dephosphorylates DARPP32. Additionally, it plays a crucial role in skeletal muscle fiber type specification and negatively regulates MAP3K14/NIK signaling, impacting nuclear translocation of RELA and RELB.
Therapeutic significance:
Understanding the role of Serine/threonine-protein phosphatase 2B catalytic subunit beta isoform could open doors to potential therapeutic strategies.