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.
We pick out particular compounds from an extensive virtual database of more than 60 billion molecules. The preparation and shipment of these compounds are facilitated by our associate Reaxense.
The library includes a list of the most effective modulators, each annotated with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Furthermore, each compound is shown with its optimal docking poses, affinity scores, and activity scores, offering a detailed summary.
Our high-tech, dedicated method is applied to construct 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
Q16566
UPID:
KCC4_HUMAN
Alternative names:
CaM kinase-GR
Alternative UPACC:
Q16566; D3DSZ7
Background:
Calcium/calmodulin-dependent protein kinase type IV (CaM kinase-GR) is a pivotal enzyme in the calcium-triggered CaMKK-CaMK4 signaling cascade. It regulates the activity of transcription activators such as CREB1, MEF2D, JUN, and RORA, which are crucial in immune response, inflammation, and memory consolidation. This kinase plays a significant role in T-cell ontogeny, memory T-cell function, osteoclast and dendritic cell differentiation and survival, and contributes to memory consolidation and LTP in the hippocampus.
Therapeutic significance:
Understanding the role of Calcium/calmodulin-dependent protein kinase type IV could open doors to potential therapeutic strategies.