Discovery of natural scaffolds as HER2 inhibitors for breast cancer: virtual screening, molecular dynamics, and biological characterization with selectivity profiling

Discovery of natural scaffolds as HER2 inhibitors for breast cancer: virtual screening, molecular dynamics, and biological characterization with selectivity profiling

Abstract Nature offers potential therapeutic candidates for breast cancer (BC), and targeting HER2 signaling presents a promising approach, leveraging the successful history of anticancer drug discovery. Using a structure-based virtual screening workflow, a comprehensive library of natural products...

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Bibliographic Details
Main Authors: Asmaa Hossam, Ingy I. Abdallah, Nadia A. El-Sebakhy, Radwan Alnajjar, Mohamed M. Mohyeldin
Format: Article
Language:English
Published: Nature Portfolio 2025-07-01
Series:Scientific Reports
Subjects:
Breast cancer
Virtual screening
HER2
Western blot
Molecular dynamics
Liquiritin
Online Access:https://doi.org/10.1038/s41598-025-11177-6
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