Explore the Potential with AI-Driven Innovation
Our detailed focused library is generated on demand with advanced virtual screening and parameter assessment technology powered by the Receptor.AI drug discovery platform. This method surpasses traditional approaches, delivering compounds of better quality with enhanced 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.
We use our state-of-the-art dedicated workflow for designing focused 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
Q8N3J5
UPID:
PPM1K_HUMAN
Alternative names:
PP2C domain-containing protein phosphatase 1K; PP2C-like mitochondrial protein; PP2C-type mitochondrial phosphoprotein phosphatase; Protein phosphatase 2C isoform kappa
Alternative UPACC:
Q8N3J5; B2RAZ1; Q05CT5; Q49AB5; Q4W5E6; Q56AN8; Q8IUZ7; Q8IXG7; Q8ND70; Q96NT4
Background:
Protein phosphatase 1K, mitochondrial (PP1K), also known as PP2C domain-containing protein phosphatase 1K, plays a pivotal role in regulating the mitochondrial permeability transition pore, crucial for cellular survival and development. Its alternative names include PP2C-like mitochondrial protein, PP2C-type mitochondrial phosphoprotein phosphatase, and Protein phosphatase 2C isoform kappa.
Therapeutic significance:
PP1K is implicated in the pathogenesis of Maple syrup urine disease, mild variant (MSUDMV), a metabolic disorder characterized by elevated plasma levels of branched-chain amino acids. Understanding the role of PP1K could open doors to potential therapeutic strategies for treating MSUDMV through dietary management and targeted therapies.