Explore the Potential with AI-Driven Innovation
This extensive focused library is tailor-made using the latest virtual screening and parameter assessment technology, operated by the Receptor.AI drug discovery platform. This technique is more effective than traditional methods, offering compounds with improved 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 high-tech, dedicated method is applied to construct targeted libraries for enzymes.
Fig. 1. The sreening workflow of Receptor.AI
It includes comprehensive molecular simulations of the catalytic and allosteric binding pockets and the ensemble virtual screening accounting for their conformational mobility. In the case of designing modulators, the structural changes induced by reaction intermediates are taken into account to leverage activity and selectivity.
Our library distinguishes itself through several key aspects:
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.