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 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.
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.
Our high-tech, dedicated method is applied to construct 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
O00444
UPID:
PLK4_HUMAN
Alternative names:
Polo-like kinase 4; Serine/threonine-protein kinase 18; Serine/threonine-protein kinase Sak
Alternative UPACC:
O00444; B2RAL0; B7Z837; B7Z8G7; Q8IYF0; Q96Q95; Q9UD84; Q9UDE2
Background:
Serine/threonine-protein kinase PLK4, also known as Polo-like kinase 4, plays a pivotal role in centriole duplication, crucial for cell division and growth. It initiates procentriole formation, recruits key centriole biogenesis proteins, and is involved in centrosome amplification, a process often linked to tumorigenesis due to centrosome aberrations in tumors. PLK4's activity includes phosphorylating proteins such as FBXW5, CDC25C, and CHEK2, essential for cell cycle progression.
Therapeutic significance:
Given its central role in cell division and potential link to tumorigenesis, targeting Serine/threonine-protein kinase PLK4 could offer a novel approach in cancer therapy. Understanding the role of PLK4 could open doors to potential therapeutic strategies.