Molecular investigation of the interaction between ionic liquid type gemini surfactant and lysozyme: A spectroscopic and computational approach. Issue 7 (July 2015)

• Record Type: Journal Article
• Authors: Maurya, Jitendra Kumar; Mir, Muzaffar Ul Hassan; Singh, Upendra Kumar; Maurya, Neha; Dohare, Neeraj; Patel, Seema; Ali, Anwar; Patel, Rajan; Case, David
• Is Part Of: Biopolymers. Volume 103:Issue 7(2015)
• Page Start: 406
• Page End: 415
• Publication Date: 2015-07
• Subjects: Biopolymers -- Periodicals; Peptides -- Periodicals; Spectrum analysis -- Periodicals; 572.33
• DOI: 10.1002/bip.22647
• Languages: English
• ISSNs: 0006-3525

Abstract

<abstract abstract-type="main"> <title>ABSTRACT</title> <p> <italic>Herein, we are reporting the interaction of ionic liquid type gemini surfactant, 1, 4‐bis(3‐dodecylimidazolium‐1‐yl) butane bromide ([C₁₂−4‐C₁₂im]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‐C₁₂im]Br₂ through static quenching mechanism as confirmed by time resolved fluorescence spectroscopy. The binding constant for lysozyme‐[C₁₂−4‐C₁₂im]Br₂ interaction have been measured by UV‐visible spectroscopy and found to be 2.541 × 10⁵M⁻¹. The FT‐IR results show conformational changes in the secondary structure of lysozyme by the addition of [C₁₂−4‐C₁₂im]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‐C₁₂im]Br₂ complex reaches an equilibrium state at around 3 ns</italic>. © 2015 Wiley Periodicals, Inc. Biopolymers 103: 406–415, 2015.</p> </abstract>