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.
We carefully select specific compounds from a vast collection of over 60 billion molecules in virtual chemical space. Our partner Reaxense helps in synthesizing and delivering these compounds.
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 method includes detailed molecular simulations of the catalytic and allosteric binding pockets, along with ensemble virtual screening that considers their conformational flexibility. In the design of modulators, structural changes induced by reaction intermediates are taken into account to enhance activity and selectivity.
Our library distinguishes itself through several key aspects:
partner
Reaxense
upacc
Q14012
UPID:
KCC1A_HUMAN
Alternative names:
CaM kinase I; CaM kinase I alpha
Alternative UPACC:
Q14012; Q3KPF6
Background:
Calcium/calmodulin-dependent protein kinase type 1 (CaM kinase I), also known as CaM kinase I alpha, plays a pivotal role in the calcium-triggered CaMKK-CaMK1 signaling cascade. It regulates various cellular processes, including transcription activator activity, cell cycle progression, hormone production, and cell differentiation. This kinase is crucial for neurite outgrowth, axonal extension, and the formation of spines and synapses in hippocampal neurons, facilitating long-term potentiation and neuronal differentiation.
Therapeutic significance:
Understanding the role of Calcium/calmodulin-dependent protein kinase type 1 could open doors to potential therapeutic strategies.