Explore the Potential with AI-Driven Innovation
The specialised, focused library is developed on demand with the most recent virtual screening and parameter assessment technology, guided by the Receptor.AI drug discovery platform. This approach exceeds the capabilities of traditional methods and offers compounds with higher 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.
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.
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
P53355
UPID:
DAPK1_HUMAN
Alternative names:
-
Alternative UPACC:
P53355; B7ZLD2; B7ZLE7; Q14CQ7; Q1W5W0; Q68CP8; Q6ZRZ3; Q9BTL8
Background:
Death-associated protein kinase 1 (DAPK1) is a calcium/calmodulin-dependent serine/threonine kinase with a pivotal role in cellular signaling pathways, including cell survival, apoptosis, and autophagy. It influences various cellular processes through phosphorylation of targets like PIN1, TPM1, STX1A, PRKD1, BECN1, TSC2, RPS6, MYL9, and DAPK3. DAPK1's involvement in amplifying NMDA receptor signaling in cerebral ischemia highlights its critical function in neuronal death.
Therapeutic significance:
Understanding the role of Death-associated protein kinase 1 could open doors to potential therapeutic strategies, especially in conditions related to apoptosis and autophagy.