Bioinformatics analysis and molecular dynamics simulations of azoreductases (AzrBmH2) from Bacillus megaterium H2 for the decolorization of commercial dyes

Bioinformatics analysis and molecular dynamics simulations of azoreductases (AzrBmH2) from Bacillus megaterium H2 for the decolorization of commercial dyes

Abstract The present study aimed to investigate the decolorization of various commercial dyes by azoreductases (AzrBmH21, AzrBmH22/3, and AzrBmH24/5) through bioinformatics means, comprising molecular docking, molecular dynamics simulation, and molecular mechanics Poisson–Boltzmann surface area (MM-...

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Bibliographic Details
Main Authors:	Habeebat Adekilekun Oyewusi, Roswanira Abdul Wahab, Kolajo Adedamola Akinyede, Ghadeer M. Albadrani, Muath Q. Al-Ghadi, Mohamed M. Abdel-Daim, Basiru Olaitan Ajiboye, Fahrul Huyop
Format:	Article
Language:	English
Published:	SpringerOpen 2024-02-01
Series:	Environmental Sciences Europe
Subjects:	Azoreductases Bacillus megaterium Degradation Synthetic dyes Molecular docking Molecular dynamics simulation
Online Access:	https://doi.org/10.1186/s12302-024-00853-5

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