Explore the Potential with AI-Driven Innovation
This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior 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.
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 in-depth molecular simulations of both the catalytic and allosteric binding pockets, with ensemble virtual screening focusing on their conformational flexibility. For modulators, the process includes considering the structural shifts due to reaction intermediates to boost activity and selectivity.
Our library distinguishes itself through several key aspects:
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.