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.
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.
In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.
Our top-notch dedicated system is used to design specialised 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.
Several key aspects differentiate our library:
partner
Reaxense
upacc
P17540
UPID:
KCRS_HUMAN
Alternative names:
Basic-type mitochondrial creatine kinase; Sarcomeric mitochondrial creatine kinase
Alternative UPACC:
P17540; Q6ICS8; Q8N1E1
Background:
Creatine kinase S-type, mitochondrial, also known as basic-type mitochondrial creatine kinase or sarcomeric mitochondrial creatine kinase, plays a pivotal role in energy transduction. It catalyzes the reversible transfer of phosphate between ATP and various phosphogens, crucial for tissues with high energy demands like skeletal muscle and the heart.
Therapeutic significance:
Understanding the role of Creatine kinase S-type, mitochondrial could open doors to potential therapeutic strategies.