Bahareh Honarparvar

Dr Bahareh Honarparvar



Dr Bahareh Honarparvar







Research Interests

Computational Chemistry 


Honorary Lecturer



Dr. Bahareh Honarparvar received her Ph.D. degree in Physical Chemistry


(Computational Chemistry) from Iran in 2010. Her Ph.D thesis was about the
application of ab initio electronic structure calculations for drug-like compounds.
From 2002 up to 2006, she was manager of industrial projects in Ministry of oil as
well as Polymer and petrochemical research Centre in Tehran-Iran. In 2007, she was
employed as a project manager and educational research member in Institution for
Curriculum Development & Educational Innovations, Tehran, Iran till April 2010.
After getting her PhD, she started her research on computational HIV drug design as a
computational postdoctoral fellow at KwaZulu-Natal University in Durban, South
Africa from July 2010 up to June 2013.
She is currently appointed as a lecturer in the school of Health Sciences
(Pharmaceutical Sciences). Her research interest is mainly on applying computational
medicinal chemistry approaches (Molecular Dynamic simulation, molecular docking,
binding free energy calculation) to investigate enzyme-inhibitor interactions for
synthesizing novel drugs related to different diseases.

 Researchgate Profile


List of Publications

 Proline N-oxides: modulators of the 3D conformation of linear peptides through “NO-turns”.

Farahani MD, Honarparvar B, Albericio F, Maguire GE, Govender T, Arvidsson PI, Kruger HG.

Org Biomol Chem. 2014 Jul 7;12(25):4479-90. doi: 10.1039/c4ob00433g.

PMID: 24849849


Integrated approach to structure-based enzymatic drug design: molecular modeling, spectroscopy, and experimental bioactivity.

Honarparvar B, Govender T, Maguire GE, Soliman ME, Kruger HG.

Chem Rev. 2014 Jan 8;114(1):493-537. doi: 10.1021/cr300314q. Epub 2013 Sep 11. No abstract available.

PMID: 24024775


Synthesis, screening and computational investigation of pentacycloundecane-peptoids as potent CSA-HIV PR inhibitors.

Makatini MM, Petzold K, Arvidsson PI, Honarparvar B, Govender T, Maguire GE, Parboosing R, Sayed Y, Soliman ME, Kruger HG.

Eur J Med Chem. 2012 Nov;57:459-67. doi: 10.1016/j.ejmech.2012.06.019. Epub 2012 Jul 16.

PMID: 22867528


Pentacycloundecane-diol-based HIV-1 protease inhibitors: biological screening, 2D NMR, and molecular simulation studies.

Honarparvar B, Makatini MM, Pawar SA, Petzold K, Soliman ME, Arvidsson PI, Sayed Y, Govender T, Maguire GE, Kruger HG.

ChemMedChem. 2012 Jun;7(6):1009-19. doi: 10.1002/cmdc.201100512. Epub 2012 Apr 27.

PMID: 22544389


Synthesis, 2D-NMR and molecular modelling studies of pentacycloundecane lactam-peptides and peptoids as potential HIV-1 wild type C-SA protease inhibitors.

Makatini MM, Petzold K, Alves CN, Arvidsson PI, Honarparvar B, Govender P, Govender T, Kruger HG, Sayed Y, JerônimoLameira, Maguire GE, Soliman ME.

J Enzyme Inhib Med Chem. 2013 Feb;28(1):78-88. doi: 10.3109/14756366.2011.633907. Epub 2012 Feb 17.

PMID: 22339087


Synthesis and structural studies of pentacycloundecane-based HIV-1 PR inhibitors: a hybrid 2D NMR and docking/QM/MM/MD approach.

Makatini MM, Petzold K, Sriharsha SN, Ndlovu N, Soliman ME, Honarparvar B, Parboosing R, Naidoo A, Arvidsson PI, Sayed Y, Govender P, Maguire GE, Kruger HG, Govender T.

Eur J Med Chem. 2011 Sep;46(9):3976-85. doi: 10.1016/j.ejmech.2011.05.071. Epub 2011 Jun 7.



 Investigation of solvent effect and NMR shielding tensors of p53 tumor-suppressor gene in drug design.

Irani S, Monajjemi M, Honarparvar B, Atyabi S, Sadeghizadeh M.

Int J Nanomedicine. 2011;6:213-8. doi: 10.2147/IJN.S14632. Epub 2011 Jan 25.

PMID: 21499418


Pentacycloundecane-based inhibitors of wild-type C-South African HIV-protease.

Makatini MM, Petzold K, Sriharsha SN, Soliman ME, Honarparvar B, Arvidsson PI, Sayed Y, Govender P, Maguire GE, Kruger HG, Govender T.

Bioorg Med Chem Lett. 2011 Apr 15;21(8):2274-7. doi: 10.1016/j.bmcl.2011.02.105. Epub 2011 Mar 1.

PMID: 21429747

KY, Mercader AG, Saavedra LM, Honarparvar B, Romanelli GP, Duchowicz PR. (2014) QSAR analysis on tacrine-related acetylcholinesterase inhibitors. Journal of biomedical science.21: 84-90, doi:10.1186/s12929-014-0084-0. 


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