Identification of novel potent peptide inhibitors targeting the polo-box domain of PLK1: structure-based pharmacophore modelling, virtual screening, molecular docking, molecular dynamics study and biological evaluation

Multiple myeloma, a hematological malignancy, shows PLK1 overexpression in cells correlates with poor prognosis, suggesting PLK1 as a potential therapeutic target. In this study, we discovered five peptides (PLs 1–5) targeting the polo box domain (PBD) of PLK1 through an integrated virtual screening...

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Bibliographic Details

Published in:	Journal of Enzyme Inhibition and Medicinal Chemistry
Main Authors:	Hong Zhou, Lixia Guan, Guoqiang Lin, Xiaotian Yang, Xingxia Zhang, Yejun Si, Yanming Zhang, Juan Chen
Format:	Article
Language:	English
Published:	Taylor & Francis Group 2025-12-01
Subjects:	Multiple myeloma polo-like kinase 1 (PLK1) polo box domain (PBD) structure-based virtual screening
Online Access:	https://www.tandfonline.com/doi/10.1080/14756366.2025.2563601