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Iranian Journal of Biotechnology، جلد ۲۰، شماره ۳، صفحات ۷۷-۸۷
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عنوان انگلیسی A Survey of Gasoline Ameliorator, Methyl-Tert-Butyl Ether (MTBE) on Bovine Serum Albumin: A Spectroscopy and Molecular Dynamic Simulation Study
چکیده انگلیسی مقاله Background: Methyl-Tert-Butyl Ether (MTBE) as a gasoline modifier is frequently added to fuels and used in plenty of
worldwide applications. MTBE biodegradation in groundwater occurs slowly and produces water miscibility; therefore, it
causes diverse environmental and human health concerns.
Objectives: The interaction of MTBE with bovine serum albumin (BSA) as a model protein at physiological conditions
is investigated to illustrate the possible interactions of MTBE with the body’s proteins.
Materials and Methods: Uv–visible, fluorescence, circular dichroism (CD) spectroscopy methods, and molecular
modeling were used to analyze the MTBE’s effect on BSA structure and dynamics. The constant protein concentration
and various MTBE contents were used for possible interactions.
Results: The protein structural analysis shows that MTBE binds to BSA via positive enthalpy and entropy via hydrophobic
interactions. Molecular docking shows the participation of several amino acids in the MTBE-BSA interaction. The CD
spectroscopy results show that the BSA structure was not changed in the MTBE concentrations utilized in the study.
Molecular dynamics (MD) simulation results suggest that MTBE can slightly change protein structure in the last 50ns.
Conclusion: Comparing experimental and MD simulation results demonstrated that the BSA secondary structure was
maintained in the low concentration of the MTBE. The entropy and enthalpy parameters asserted the hydrophobic
interaction was the major force in the interaction between the BSA and MTBE.
Keyword: Bovine Serum Albumin; Methyl-Tert-Butyl Ether; Molecular Dynamics Simulation; Secondary Structure
کلیدواژه‌های انگلیسی مقاله Bovine serum albumin,Methyl-Terr-Butyl Ether,Molecular Dynamics Simulation,Secondary structure
نویسندگان مقاله Ebrahim Shahmansoorian |
Department of biology, Faculty of Basic Sciences, Science and Research Branch, Islamic Azad University, Tehran, Iran

Seyed-Mohammad Atyabi |
Department of Pilot Nano biotechnology, Pasteur Institute of Iran, Tehran, Iran

Parichehreh Yaghmaei |
Department of biology, Faculty of Basic Sciences, Science and Research Branch, Islamic Azad University, Tehran, Iran

Faramarz Mehrnejad |
Department of Life Science Engineering, Faculty of New Sciences and Technologies, University of Tehran, Tehran, Iran

نشانی اینترنتی https://www.ijbiotech.com/article_160666_fdb795884bfc5742ecf4f0357743cd68.pdf
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