Influence of salt and temperature on the interaction of bovine serum albumin with cetylpyridinium chloride

Insights from experimental and molecular dynamics simulation

Md Anamul Hoque, Farid Ahmed, Mohammad A. Halim, Mohammad Robel Molla, Shahed Rana, Azizur Rahaman, Malik Abdul Rub

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Interaction of biopolymer bovine serum albumin (BSA) with a cationic surfactant cetylpyridinium chloride (CPC) has been performed using the conductometric technique in water as well as in the presence of electrolytes at various temperatures. The three critical micelle concentrations (c 1, c 2 and c 3) were achieved in case of pure CPC as well as CPC + BSA mixtures in all cases. The change of c values of CPC due to the addition of BSA reveal the interaction between BSA and CPC. The reduction of c values in salts solution indicates that addition of salt favors the micellization of CPC + BSA mixed system as compared to that in aqueous solution. The ∆G0 m values are obtained to be negative in all the cases. The ΔH0 m and ΔS0 m values reveal that the interactions between BSA and CPC are mainly hydrophobic and electrostatic origin. The thermodynamic properties of transfer were also evaluated as well as discussed in detail for the studied system. Molecular dynamics simulation disclosed how a protein interacts with surfactant molecules in presence of salt and no-salt environments. Although salt environment not only promotes the interaction between protein and surfactant, the overall collision cross-section of the protein remains almost unchanged.

Original languageEnglish
Pages (from-to)121-130
Number of pages10
JournalJournal of Molecular Liquids
Volume260
DOIs
Publication statusPublished - 15 Jun 2018

Fingerprint

Cetylpyridinium
Bovine Serum Albumin
albumins
serums
Molecular dynamics
Salts
chlorides
molecular dynamics
salts
Computer simulation
Proteins
simulation
interactions
Surface active agents
surfactants
Temperature
temperature
proteins
Surface-Active Agents
Micellization

Keywords

  • Bovine serum albumin
  • Cetylpyridinium chloride
  • Critical micelle concentration
  • Molecular dynamics simulation
  • Thermodynamic parameters

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Influence of salt and temperature on the interaction of bovine serum albumin with cetylpyridinium chloride : Insights from experimental and molecular dynamics simulation. / Hoque, Md Anamul; Ahmed, Farid; Halim, Mohammad A.; Molla, Mohammad Robel; Rana, Shahed; Rahaman, Azizur; Rub, Malik Abdul.

In: Journal of Molecular Liquids, Vol. 260, 15.06.2018, p. 121-130.

Research output: Contribution to journalArticle

Hoque, Md Anamul ; Ahmed, Farid ; Halim, Mohammad A. ; Molla, Mohammad Robel ; Rana, Shahed ; Rahaman, Azizur ; Rub, Malik Abdul. / Influence of salt and temperature on the interaction of bovine serum albumin with cetylpyridinium chloride : Insights from experimental and molecular dynamics simulation. In: Journal of Molecular Liquids. 2018 ; Vol. 260. pp. 121-130.
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