Explore the Potential with AI-Driven Innovation
The focused library is created on demand with the latest virtual screening and parameter assessment technology, supported by the Receptor.AI drug discovery platform. This method is more effective than traditional methods and results in higher-quality compounds with better 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 includes a list of the most promising modulators annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Also, each compound is presented with its optimal 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
This approach involves comprehensive molecular simulations of the catalytic and allosteric binding pockets and ensemble virtual screening that accounts for their conformational flexibility. In the case of designing modulators, the structural adjustments caused by reaction intermediates are considered to improve activity and selectivity.
Our library stands out due to several important features:
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.