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.
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.
The library features a range of promising modulators, each detailed with 38 ADME-Tox and 32 physicochemical and drug-likeness parameters. Plus, each compound is presented with its ideal docking poses, affinity scores, and activity scores, ensuring a thorough insight.
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
P53350
UPID:
PLK1_HUMAN
Alternative names:
Polo-like kinase 1; Serine/threonine-protein kinase 13
Alternative UPACC:
P53350; Q15153; Q99746
Background:
Serine/threonine-protein kinase PLK1, also known as Polo-like kinase 1, plays a pivotal role in cell cycle progression, specifically during the M phase. It is involved in various processes such as centrosome maturation, spindle assembly, removal of cohesins from chromosome arms, and regulation of mitotic exit and cytokinesis. PLK1 achieves its functions by phosphorylating a wide array of proteins, facilitating crucial cellular events.
Therapeutic significance:
Understanding the role of Serine/threonine-protein kinase PLK1 could open doors to potential therapeutic strategies.