Molecular investigation of the interaction between ionic liquid type gemini surfactant and lysozyme: A spectroscopic and computational approach

Biopolymers
Jitendra Kumar MauryaRajan Patel

Abstract

Herein, we are reporting the interaction of ionic liquid type gemini surfactant, 1,4-bis(3-dodecylimidazolium-1-yl) butane bromide ([C12-4-C12 im]Br2) with lysozyme by using Steady state fluorescence, UV-visible, Time resolved fluorescence, Fourier transform-infrared (FT-IR) spectroscopy techniques in combination with molecular modeling and docking method. The steady state fluorescence spectra suggested that the fluorescence of lysozyme was quenched by [C12-4-C12 im]Br2 through static quenching mechanism as confirmed by time resolved fluorescence spectroscopy. The binding constant for lysozyme-[C12-4-C12 im]Br2 interaction have been measured by UV-visible spectroscopy and found to be 2.541 × 10(5) M(-1). The FT-IR results show conformational changes in the secondary structure of lysozyme by the addition of [C12-4-C12 im]Br2. Moreover, the molecular docking study suggested that hydrogen bonding and hydrophobic interactions play a key role in the protein-surfactant binding. Additionally, the molecular dynamic simulation results revealed that the lysozyme-[C12-4-C12 im]Br2 complex reaches an equilibrium state at around 3 ns.

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Citations

Oct 17, 2015·Journal of Biomolecular Structure & Dynamics·Jitendra Kumar MauryaRajan Patel
Nov 14, 2015·Luminescence : the Journal of Biological and Chemical Luminescence·Neeraj DohareRajan Patel
Aug 20, 2016·The Journal of Physical Chemistry. B·Lida MomeniSadegh Farhadian
Dec 18, 2016·International Journal of Biological Macromolecules·Mohd Akram Kabir-Ud-Din
Jan 23, 2019·Journal of Biomolecular Structure & Dynamics·Mozhgan MohammadiSadegh Farhadian
Jan 10, 2018·Luminescence : the Journal of Biological and Chemical Luminescence·Babita AnejaRajan Patel
Apr 14, 2020·The Journal of Physical Chemistry. B·Gagandeep SinghTejwant Singh Kang
Nov 22, 2019·International Journal of Biological Macromolecules·Mozhgan MohammadiAli Akbar Saboury
Jul 25, 2019·The Journal of Physical Chemistry. B·Arusha AcharyyaTimothy D Vaden

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