Leveraging the Fragment Molecular Orbital Method to Explore the PLK1 Kinase Binding Site and Polo-Box Domain for Potent Small-Molecule Drug Design

Leveraging the Fragment Molecular Orbital Method to Explore the PLK1 Kinase Binding Site and Polo-Box Domain for Potent Small-Molecule Drug Design

Polo-like kinase 1 (PLK1) plays a pivotal role in cell division regulation and emerges as a promising therapeutic target for cancer treatment. Consequently, the development of small-molecule inhibitors targeting PLK1 has become a focal point in contemporary research. The adenosine triphosphate (ATP)...

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Bibliographic Details
Main Authors: Haiyan Jin, Jongwan Kim, Onju Lee, Hyein Kim, Kyoung Tai No
Format: Article
Language:English
Published: MDPI AG 2023-10-01
Series:International Journal of Molecular Sciences
Subjects:
protein-protein interaction
fragment molecular orbital method
polo-like kinase 1
molecular dynamics simulation
Online Access:https://www.mdpi.com/1422-0067/24/21/15639

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