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.
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 employ our advanced, specialised process to create targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
P12532
UPID:
KCRU_HUMAN
Alternative names:
Acidic-type mitochondrial creatine kinase; Ubiquitous mitochondrial creatine kinase
Alternative UPACC:
P12532; B4DIT8; B7ZA09; Q0VAM3; Q32NF6; Q53FC4
Background:
Creatine kinase U-type, mitochondrial, also known as Acidic-type mitochondrial creatine kinase or Ubiquitous mitochondrial creatine kinase, plays a pivotal role in cellular energy homeostasis. It reversibly catalyzes the transfer of phosphate between ATP and various phosphogens, such as creatine phosphate. This enzyme is crucial in tissues with high energy demands including skeletal muscle, heart, brain, and spermatozoa.
Therapeutic significance:
Understanding the role of Creatine kinase U-type, mitochondrial could open doors to potential therapeutic strategies. Its central role in energy transduction highlights its potential as a target for treatments in conditions characterized by energy dysregulation.