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.
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.
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.
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.
Key features that set our library apart include:
partner
Reaxense
upacc
P12277
UPID:
KCRB_HUMAN
Alternative names:
Brain creatine kinase; Creatine kinase B chain; Creatine phosphokinase B-type
Alternative UPACC:
P12277; A8K236; B2R5R4; Q2LE07; Q6FG40; Q9UC66
Background:
Creatine kinase B-type, also known as Brain creatine kinase and Creatine phosphokinase B-type, plays a pivotal role in energy transduction in tissues with high energy demands such as the brain, heart, and muscles. It catalyzes the transfer of phosphate between ATP and various phosphogens, crucial for maintaining energy homeostasis.
Therapeutic significance:
Understanding the role of Creatine kinase B-type could open doors to potential therapeutic strategies. Its involvement in energy metabolism and adaptive thermogenesis highlights its potential as a target for disorders related to energy dysregulation.