Unveiling Berberine analogues as potential inhibitors of Escherichia coli FtsZ through machine learning molecular docking and molecular dynamics approach

Unveiling Berberine analogues as potential inhibitors of Escherichia coli FtsZ through machine learning molecular docking and molecular dynamics approach

Abstract The bacterial cell division protein FtsZ, a crucial GTPase, plays a vital role in the formation of the contractile Z-ring, which is essential for bacterial cytokinesis. Consequently, inhibiting FtsZ could prevent the formation of proto-filaments and interfere with the cell division machiner...

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Bibliographic Details
Main Authors: Aditi Roy, Anand Anbarasu
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:Scientific Reports
Subjects:
Antimicrobial resistance
Escherichia coli
FtsZ
Molecular docking
Molecular dynamics simulation
Machine learning
Online Access:https://doi.org/10.1038/s41598-025-98835-x
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https://doi.org/10.1038/s41598-025-98835-x

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