Journal
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
Volume 194, Issue -, Pages 790-799Publisher
ELSEVIER
DOI: 10.1016/j.ijbiomac.2021.11.126
Keywords
Malachite green oxalate; Apo-transferrin; Iron transfer; Multi-spectroscopy; Molecular dynamic simulation
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Different groups of synthetic dyes may cause environmental pollution, emphasizing the need for understanding their binding properties with biomolecules. Malachite Green can affect iron transfer by Apo-transferrin and alter the accessible surface area of key amino acids. Experimental data shows that Malachite Green quenches the fluorescence intensity of Apo-transferrin in a static quenching mechanism.
Different groups of synthetic dyes might lead to environmental pollution. The binding affinity among hazardous materials with biomolecules necessitates a detailed understanding of their binding properties. Malachite Green might induce a change in the iron transfer by Apo-transferrin. Spectroscopic studies showed malachite green oxalate (MGO) could form the apo-transferrin-MGO complex and change the Accessible Surface Area (ASA) of the key amino acids for iron transfer. According to the ASA results the accessible surface area of Tyrosine, Aspartate, and Histidine of apo-transferrin significantly were changed, which can be considered as a convincing reason for changing the iron transfer. Moreover, based on the fluorescence data MGO could quench the fluorescence intensity of apo-transferrin in a static quenching mechanism. The experimental and Molecular Dynamic simulation results represented that the binding process led to micro environmental changes, around tryptophan residues and altered the tertiary structure of apo-transferrin. The Circular Dichroism (CD) spectra result represented a decrease in the amount of the alpha-Helix, as well as, increase in the beta-sheet volumes of the apo-transferrin structure. Moreover, FTIR spectroscopy results showed a hypochromic shift in the peaks of amide I and II. Molecular docking and MD simulation confirmed all the computational findings.
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