Amin Reza Zolghadr

Associate Professor

Office: E-307

Phone: +98 713 613 7157


    Group Homepage


Education and Appointments

B.Sc. in Pure Chemistry: Sistan & Baluchestan University, Iran (Feb. 2000-Sep.2004)

M.Sc. in Physical Chemistry: Shiraz Univ., Iran, (Sep.2004-Sep. 2006)

Ph.D. in Physical Chemistry: Shiraz Univ., Iran, (Sep.2006- Feb 2010)

Assistant  Prof., Shiraz Univ. of Medical Science, Iran, (Feb. 2012- Jun 2013)

Assistant  Prof. of Chemistry, Shiraz Univ., Iran, ( Jun 2013-March 2019)

Associate  Prof. of Chemistry, Shiraz Univ., Iran, (since March 2019)

Sabbatical of Prof. Dr. A. Klein at the Chemistry Department of Shiraz University


Group Members 1

Research Interests

Statistical Mechanics, Surface Chemistry , Car-Parrinello Molecular Dynamics Simulation, 

Molecular Dynamics Simulation of Ionic Liquids, Molecular Dynamics Simulation of Biological systems

Publication Cover Art

Journal of Chemical Information and Modeling

Our molecular dynamics simulations show that aminopropyl dibromocarbazole derivative (P7C3) treat Alzheimer Disease by prevention of Aβ fibrils deposition into the cell membrane. The P7C3 small molecules are self-assembled at membrane/ionic aqueous solution interface and prevent membrane disruption by binding to the Aβ peptides. The introduction of P7C3 class of neuroprotective small molecules opens up a new avenue to develop novel Alzheimer’s drug. 

A. R. Zolghadr* and M. Heydari DokoohakiHow Does the P7C3-Series of Neuroprotective Small Molecules Prevent Membrane Disruption? J. Chem. Inf. Model.201757 (8), pp 2009–2019


April 2018. PPS3 Conference: Prof. Robert Huber (1988 Chemistry Nobel Prize Winner) at the Chemistry Department of Shiraz University.

Selected Publications

The interactions of an Aβ protofibril with a cholesterol-enriched membrane and involvement of neuroprotective carbazolium-based substances

H. Karimi, M. Heydari Dokoohaki, A. R. Zolghadr *, and M. H. Ghatee

Phys.Chem.Chem.Phys., 2019, 21, 11066


Interactions of neutral gold nanoparticles with DPPC and POPC lipid bilayers: simulation and experiment

A. R. Zolghadr *, and S. Saddat Moosavi

RSC Adv., 2019, 9, 5197


 Confinement of aqueous mixtures of ionic liquids between amorphous TiO2 slit nanopores: electrostatic field induction

F. Mohammadpour, M. Heydari Dokoohaki, A. R. Zolghadr*,  M. H. Ghatee  and M. Moradi

Phys.Chem.Chem.Phys., 2018, 20, 29493


Spontaneous assembly of HSP90 inhibitors at water/octanol interface: A molecular dynamics simulation study

A.R. Zolghadr*, S. Boroomand

Chemical Physics Letters 669 (2017) 130-136


Self-assembly of neuroprotective carbazolium based small molecules at octane/water interface: A simulation investigation

A.R. Zolghadr*, M. Heydari Dokoohaki

Chemical Physics 480 (2016) 1–11


The effect of various quantum mechanically derived partial atomic charges on the bulk properties of chloride-based ionic liquids 

A. R. Zolghadr*, M. H. Ghateea, F. Moosavi

Chemical Physics 475  (2016) 23–31


The binding of small carbazole derivative (P7C3) to protofibrils of the Alzheimer’s disease and β-secretase: Molecular dynamics simulation studies

Z. Faghih, M. Fereidoonnezhad, S. M. H. Tabaei, Z. Rezaei, A. R. Zolghadr*

Chemical Physics, 459 (2015) 31–39



 Adsorption and Orientation of Ionic Liquids and Ionic Surfactants at Heptane/Water Interface

J. Phys. Chem. C2014,  118:19889-19903 

A. R. Zolghadr,* M. H. Ghatee , A. Zolghadr 



 Local Depolarization in Hydrophobic and Hydrophilic Ionic Liquids-Water Mixtures: Car–Parrinello and Classical Molecular Dynamics Simulation

M. H. Ghatee* and A. R. Zolghadr

J. Phys. Chem. C, 2013, 117:2066-2077



Studies of structural, dynamical and interfacial properties of 1-alkyl-3-methylimidazolium iodide ionic liquids by molecular dynamics simulation

M. H. Ghatee* and A. R. Zolghadr. F. Moosavi, Y. Ansari

J. Chem. Phys., 2012 136:124706-14

 Surface tension measurements of imidazolium based ionic liquids at liquid/vapor equilibrium

M. H. Ghatee* and A. R. Zolghadr

Fluid Phase Equilibria, 2008 263 :168-175