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.
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.
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 stands out due to several important features:
partner
Reaxense
upacc
Q00536
UPID:
CDK16_HUMAN
Alternative names:
Cell division protein kinase 16; PCTAIRE-motif protein kinase 1; Serine/threonine-protein kinase PCTAIRE-1
Alternative UPACC:
Q00536; A8K280; B7Z7C8; J3KN74; J3KQP7
Background:
Cyclin-dependent kinase 16 (CDK16), also known as Cell division protein kinase 16, PCTAIRE-motif protein kinase 1, and Serine/threonine-protein kinase PCTAIRE-1, plays a pivotal role in various cellular processes. It is involved in vesicle-mediated transport, exocytosis, spermatogenesis, neuron differentiation, dendrite development, and insulin secretion regulation in response to blood glucose levels. CDK16's ability to phosphorylate NSF and CCNY highlights its significance in cellular signaling pathways.
Therapeutic significance:
Understanding the role of Cyclin-dependent kinase 16 could open doors to potential therapeutic strategies.