Spectral Characterization of the Interaction Between Methamphetamine and Serum Albumin†

doi:10.7503/cjcu20180447

Abstract

Abstract:

The fluorescence spectroscopy technique and molecular docking method were used to research the interaction between methamphetamine and bovine serum albumin (BSA). Firstly, the fluorescence spectra of BSA and BSA containing methamphetamine were studied, and experimental results show that methamphetamine leads to the fluorescence quenching of BSA. On this basis, the molecular dynamics between methamphetamine and BSA was simulated by the molecular docking method, and the results indicate that the methamphetamine probably interact with BSA in tryptophan and phenylalanine residues through electrostatic forces. Therefore, the interactions between methamphetamine and tryptophan, phenylalanine were studied, respectively. Results from the fluorescence spectroscopy indicate that methamphetamine leads to the fluorescence quenching of tryptophan, phenylalanine, respectively. Given the above, we can conclude that the methamphetamine bind with BSA through electrostatic forces, and the binding sites are tryptophan and phenylalanine residues.

Key words: Methamphetamine, Serum albumin, Fluorescence spectroscopy, Molecular docking

CLC Number:

O641
O433

TrendMD:

WANG Yan, CHEN Ping, WANG Yunfei, LIU Guiying, YANG Xi, SU Ying, LI Junyang, LIU Weiwei, LIN Lie. Spectral Characterization of the Interaction Between Methamphetamine and Serum Albumin^†[J]. Chem. J. Chinese Universities, 2018, 39(11): 2507.

Figures/Tables 6

Fig.1 Fluorescence spectra of BSA in the presence of various concentrations of methamphetamine(A) and relationship between the intensity of mixed solution and the concentration of methamphe-tamine(B)

Fig.2 Docking sites by creating a cube grid around the protein’s own ligands(A), ligands, receptors and target docking sites before docking(B) and ligands and receptors after docking(C)

Fig.3 Docking results between methamphetamine and 3JQZ(A) and the amino acid groups involved in the interaction between methamphetamine and 3JQZ(B)

Fig.4 Docking results between methamphetamine and 212Z(A) and the amino acid groups involved in the interaction between methamphetamine and 212Z(B)

Fig.5 Fluorescence spectra of tryptophan in the presence of various concentrations of methamphetamine

Fig.6 Fluorescence spectra of phenylalanine in the presence of various concentrations of methamphetaminec(Phenylalanine)=15 μg/mL.

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