Exploring the binding interaction of 1,4-naphthoquinone derivative–human serum albumin complex by biophysics and molecular simulation

Exploring the binding interaction of 1,4-naphthoquinone derivative–human serum albumin complex by biophysics and molecular simulation

Abstract A set of 1,4-naphthoquinone (1,4-NQ) derivatives possesses various pharmaceutical activities. Among them, a synthetic 2-(4-methoxyanilino)naphthalene-1,4-dione (MN) is found to be non-cytotoxic to the normal MRC-5 cells and prevent neuronal SH-SY5Y cell damage. To explore the underlying int...

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Main Authors: Francis Ayimbila, Tanawut Tantimongcolwat, Waralee Ruankham, Ratchanok Pingaew, Veda Prachayasittikul, Virapong Prachayasittikul, Supaluk Prachayasittikul, Kamonrat Phopin
Format: Article
Language:English
Published: Nature Portfolio 2025-06-01
Series:Scientific Reports
Subjects:
1,4-Naphthoquinone
Human serum albumin
Biophysics
Pharmacokinetics
Molecular simulation
Online Access:https://doi.org/10.1038/s41598-025-02787-1
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https://doi.org/10.1038/s41598-025-02787-1

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