Potent β-lactam-based tyrosyl-DNA phosphodiesterase 1 inhibitors identified by a virtual screen

Potent β-lactam-based tyrosyl-DNA phosphodiesterase 1 inhibitors identified by a virtual screen

Abstract Tyrosyl-DNA phosphodiesterase 1 (TDP1) is an important therapeutic target. We recently reported several crystal structures of TDP1 with small molecules bound within the catalytic pocket. These molecules bind by forming hydrogen bonds with residues of the catalytic HKN motifs. Guided by thes...

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Bibliographic Details
Main Authors: Xue Zhi Zhao, Wenjie Wang, Kiall F. Suazo, Md Rasel Al Mahmud, Keli Agama, George T. Lountos, Thorkell Andresson, Yves Pommier, Terrence R. Burke
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Tyrosyl-DNA phosphodiesterase 1 (TDP1) inhibitors
β-Lactam
Virtual screen
DrugBank
Fluorescence assay
Surface plasmon resonance
Online Access:https://doi.org/10.1038/s41598-025-12503-8
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https://doi.org/10.1038/s41598-025-12503-8

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