My CV (resume)

PERSONAL INFORMATION
Name: Bahareh Honarparvar
Email: bahareh_honarparvar @ Y!
Marital status: Female/ Single
Date of birth: 24.07.1975
Place of birth: Tehran - Iran
Nationality: Iranian

Academic status: Ph.D in physical chemistry (computational)
Position: Postdoctoral fellow in KwaZulu-Natal University- Westville Campus
Durban- South Africa
Project topic: Hybrid QM/MM/MD insight into HIV protease: Mechanistic, structural aspects and computer aided strategy for the design of novel potent inhibitors.

RESEARCH INTERESTS

  • Interdisciplinary research skills: Computational biology, theoretical biochemistry and biophysics, theoretical and physical organic chemistry.

  • QM/MM/MD simulation of the biomolecules and study on enzyme-inhibitor interactions to synthesis novel drugs.

  • Molecular docking.

  • Computational drug design and drug delivery.

EDUCATION

  • 2010-present: Postdoctoral fellow in KwaZulu-Natal University
    Durban- South Africa.

  • 2004-2010: PhD in physical chemistry, Department of basic science, Science and research campus, Islamic Azad University, Tehran –Iran.
    Thesis Topic: Correlation between electronic structure properties of the anxileotic drugs with their pharmacological parameters.

  • 1999-2001: MSc physical chemistry - Tarbiat Modarres University, Tehran-Iran.
    Thesis Topic: Molecular modeling of water clusters using quantum mechanical calculation of the NQR (Nuclear Quadrupole Resonance) parameters.

  • 1994-1998: BSc. Pure chemistry- Tarbiat Moallem University, Tehran-Iran

Work Experience

Title Place Date
Manager of projects in the
chemical education field
Designing and Accrediting a ICT- based Effective Model for Learning and Teaching of Chemistry in High Schools		 Department of Science, Mathematics and technology education, Research Institution for Curriculum Development & Educational Innovations, P.O.Box: 15875-4874, Tehran, Iran. 05.2005-05.2010
Manager of projects in the field of
natural gas conversion
The quantum mechanical investigation of the effect of Lattice Size on the interaction potential between Methane and Perovskite surface in terms of the distance		 Ministry of Oil
Tehran, IRAN		 10.2002-10.2004
Manager of projects in the field of natural gas conversion
Ab Initio study of methane activation on titanium oxide catalyst using G98 program		 Polymer and petrochemical research centre, Tehran-Iran 09.2000-10.2002


INTERNATIONAL ATTENDED CONFERENCES

Date Place Title
22 - 23 January 2009 Bangkok - Thailand international conference Monte Carlo and Lungvin simulation of CCR2 Primer: a solvent effect study
6-9 July 2008 9th European Conference on Research In Chemical Education, Istanbul, Turkey Designing and accrediting an ICT- based effective model for teaching and learning of chemistry in secondary schools
18-21 November The 10th international chemistry conference and Exhibition in Africa Theoretical Investigation of the Solvent Effect on the Conformational stability of the DPPE and
2007 ICCA involving in membrane.
18-21 November, 2007 The 10th international chemistry conference and Exhibition in Africa (10 ICCA) An Effective ICT – Enhance teaching and learning model for chemistry education at secondary school level.
5 June 25-28,2007 Tafila Technical University, Petra International chemistry conference and Trans – Mediterranean Colloquium on Heterocyclic Chemistry RAMECH A DFT Study of Hydrogen Bonding Interactions on the 17O, 14N, and 2H Nuclear Quadrupole Resonance Parameters of Anhydrous and Monohydrated Guanine Crystalline Structures

 

NATIONAL ATTENDED CONFERENCES

Date Place Ttile
29th Septamber-1St October Research institute for Fundamental Sciences Workshop on "Computational Nanobiotechnology and Application in Drug Design"
17-18, Julay, 2006 7th Iranian Bio Physical Chemistry conference in Tabriz University Investigation Of NQR Parameters On the Tetrazole -Azide Tautomeric Equilibria: A DFT Study
19-20, Dec, 2004 2th Chemistry conference, Islamic Azad University, Varamin Branch, Varamin, Iran Investigation of Heteroatom Substituent Effect on the Aromaicity of Six-Membered rings using NICS (Nuclear Independent chemical shifts) Parameters
30 May,2001 8th Conference of Theoretical Physics in Ministry of Culture & Higher Education Mathematics & Theoretical Physics Research Center-Tehran Density Functional Theory
26 Aug 2001 Seminar in Tarbiat Modarres University Detecting with NMR Spectrophotometer Equipped with DC-SQUID amplifier.
16-18, May, 2000 8th Iranian Seminar of Organic Chemistry in Kashan University PM3 Calculations on Nitro – Nitrite Rearrangement

 

COMPUTER SKILLS
Chemistry software such as: Dynamo (QM/MM/MD simulation), Autodock4, VMD, Gaussian, Mopac, Avogadro, Hyperchem 7, Arguslab, Chem office, Mercury, Swiss-PdbViewer .

LANGUAGE SKILLS

  • Farsi (Persian): Mother Tongue
  • English: Fluent in English comprehension, writing, listening and speaking (current holder of IELTS certificate, Academic)
  • Germany (still learning)
  • Turkish : Fluent in speaking

PUBLICATION LIST
A) Books

  1. 1. Monajjemi, M. Honarparvar, B. and Bakhshi, K. (2007): Density Functional Theory. Tehran - Iran. Andishehsara press.ISBN 978-964-8407-50-1,964-8407-50-9 1-306 pp.(in Farsi) (WWW. Andishehsara.org).
    2. Monajjemi, M. Honarparvar, B. and Mollaamin, F. (2008): Manual of VASP program. Tehran - Iran. Sarafraz press. ISBN 978-964-8770-85-8, 1-297pp.(in Farsi)

    B) Articles in journals
    1. Makatini, M.M., Petzold, K., Sriharsha, S.N., Soliman, M.E.S., Honarparvar, B., Arvidsson, P.I., Sayed Y., Govender, P., Maguire, G.E.M., Kruger H.G., and Govenderg, T, Experimental and theoretical investigation of the interaction modes for pentacycloundecane-peptide derivatives as potential HIV protease inhibitors, submitted.
    2. Mousavinezhad, E.S., and Honarparvar, B. (2011): Theoretical study on molecular and electronic properties of the salicylic acid derivatives as anti- inflammatory drugs, Journal of Structural Chemistry, in press.
    3. Irani, S., Monajjemi, M., Honarparvar, B., Atyabi, M., and sadeghizadeh, M. (2011): Investigation of solvent effect and NMr shielding tensors of p53 tumor-suppressor gene in drug design, International Journal of Nanomedicine (6 ),213–218.
    4. Monajjemi, M., Honaparvar, B., Khalili Hadad, B., Ilkhani, A. R. and Mollaamin, F. (2010): Thermo-chemical investigation and NBO analysis ofsome anxileotic as Nano- drugs, African Journal of Pharmacy and Pharmacology 4 (8), 521-529.
    5. Monajjemi, M., Lee, V. S., Khaleghian, M., Honarparvar, B., and Mollaamin, F. (2010) : Theoretical Description of Electromagnetic Nonbonded Interactions of Radical, Cationic, and Anionic NH2BHNBHNH2 Inside of the B18N18 Nanoring, J. Phys. Chem. C 2010, 114,(36) 15315–15330.
    6. Mousavinezhad Sarasia, E. Afsharnezhad, Sima. Honarparvar, B. Mollaamin, F. Monajjemi, M. (2010): Theoretical Study of Solvent Effect on NMR Shielding Tensors of Luciferin Derivatives, Physics and Chemistry of Liquids, in press.
    7. Monajjemi, M., Khosravi. M., Honarparvar. B., Mollaamin. F. (2010): Substituent and solvent effects on the structural bioactivity and anticancer characteristic of catechin as a bioactive constituent of green tea, International Journal of Quantum Chemistry,DOI: 10.1002/qua.22612, Published Online: 18 May 2010.
    http://www3.interscience.wiley.com/journal/123444067/abstract
    8. Monajjemi, M., Honarparvar, B., Nasseri, S., and Khaleghian, M. (2009): NQR and NMR study of hydrogen bonding interactions in anhydrous and monohydrated guanine cluster model: a computational study. J. Struct. Chem , 50 (1), 73- 83.
    9. Monajjemi, M., Mahdavian, L., Mollaamin, F., Honarparvar, B. (2010): Thermodynamic investigation of Enol ↔Keto tautomerism for alcohol sensors based on carbon nanotubes as chemical sensors. Fullerenes, Nanotubes and Carbon Nanostructures, 18:1, 45-55.
    (http://www.informaworld.com/smpp/content~db=all~content=a918634976)
    10. Monajjemi, M., Razavian, M., H, Mollaamin,F., Naderi, F., and Honarparvar, B. (2008): A Theoretical Thermochemical Study on Solute – Solvent dielectric Effects in the displacement of Codon- Anticodon Base Pairs. Russian Journal of Physical Chemistry A,13, 113 – 121.
    (see http://adsabs.harvard.edu/abs/2008RJPCA..82.2277M)
    11. Mollaamin, F., Baei, M. T, Monajjemi, M., Zhiani, R., and Honarparvar, B. (2008): A DFT study of hydrogen chemisorption on V (100) surfaces. , Russian Journal of Physical Chemistry A 80(13),190–197.
    (see http://adsabs.harvard.edu/abs/2008RJPCA..82.2354 M).
    12. Monajjemi, M., Haddadi, A., Honarparvar, B., Irani, S., Mollaamin, F.Tahan, A.(2008): NMR and solvent effect study on the Thymine-Adenine-Thymine sequence: A theoretical investigation on the chemical behavior of nucleotides in solution, Egyptian Journal of Biochemistry and Molecular Biology 26 (1), 83-100.
    13. Monajjemi, M., Honarparvar, B. (2006): Investigation of NQR parameters on the Tetrazole – Azole Tautomeric equilibria: A DFT study, J.Mec.Chem.Soc 50(4), 158-163.
    14. Monajjemi, M., Honarparvar, B., Haeri, H. H., and Heshmat, M. (2006) : An Ab initio quantum chemical investigation of solvent-induced effect on 14N-NQR parameters of Alanine, Glycine, Valine, and Serine using polarizable continuum model, Russian journal of physical chemistry, 80 (1), 40-44.
    (See http://adsabs.harvard.edu/abs/2006RJPCA.80. S40M).

    C) Published contributions to academic conferences

    1. Honarparvar, B., and Monajjemi, M. (2009): Monte Carlo and Lungvin simulation of CCR2 Primer: a solvent effect study. Asian simulation and modeling international conference at Bangkok - Thailand, January 22-23, 2009.
    2. Khodayari, N., Honarparvar, B., and Monajjemi, M. (2009): Theoretical Investigation of monte Caralo Simulation DHA-Containing Phospholipids in Never Cell’s Membrane. Asian simulation and modeling international conference at Bangkok - Thailand, January 22-23 2009, 229-238.
    3. Honarparvar, B., and Badrian, A. (2008): Designing and accrediting an ICT- based effective model for teaching and learning of chemistry in secondary schools. 9th European Conference on Research In Chemical Education at Istanbul-Turkey, 6-9 July, 2008,228.
    4. Honarparvar, B., and Monajjemi, M. (2007): Theoretical Investigation of the Solvent Effect on the conformational stability of the DPPE and involving in membrane. The 10th international chemistry conference and Exhibition in Africa (10 ICCA) at Benghazi (Libya), 18-21 November, 2007, 168.
    5. Honarparvar, B., and Badrian, A.(2007): An Effective ICT – Enhance teaching and learning model for chemistry education at secondary school level. The 10th international chemistry conference and Exhibition in Africa (10 ICCA) at Benghazi (Libya), 18-21 November, 2007.
    6. Honarparvar, B., and Monajjemi, M.(2007): A DFT Study of Hydrogen Bonding Interactions on the 17O, 14N, and 2H Nuclear Quadrupole Resonance Parameters of Anhydrous and Monohydrated Guanine Crystalline Structures. Petra International chemistry conference and Trans – Mediterranean Colloquium on Heterocyclic Chemistry at Tafila- Jordan 25-28 June, 79.
    7. Bakhshi, K., Honarparvar, B., Monajjemi, M. (2007): Ab Initio Study of 13C – NMR and NBO Parameters of Carbon Nanotubes for Gas Adsorption, Petra International Chemistry Conference (PICC) and Transmediterranean Colloquium of Heterocyclic Chemistry at Tafila- Jordan 25-28 June, 79.
    8. Honarparvar, B., and Monajjemi, M. (2006): Investigation of NQR Parameters on the Tetrazole -Azide Tautomeric Equilibria: A DFT Study. 7th Iranian Bio Physical Chemistry conference in Tabriz University at Tabriz- Iran.
    9. Honarparvar, B., and Monajjemi, M. (2007):Ab initio study of 13C –NMR and NBO parameters of carbon nanotubes for Gas Adsorption. Petra International chemistry conference and Trans – Mediterranean Colloquium on Heterocyclic Chemistry at Tafila- Jordan 25-28 June, 2007,40.
    10. Honarparvar, B., and Moradi, S. (2004): Investigation of Heteroatom Substituent Effect on the Aromaicity of Six-Membered rings using NICS (Nuclear Independent chemical shifts) Parameters. 2th Chemistry conference, Islamic Azad University, Varamin Branch, Varamin- Iran.
    11. Honarparvar, B., and Hadipour, N. (2001): Density Functional Theory. 8th Conference of Theoretical Physics in Ministry of Culture & Higher Education Mathematics & Theoretical Physics Research Center-Tehran.
    12. Honarparvar, B., and Hadipour, N. (2001): Detecting with NMR Spectrophotometer Equipped with DC-SQUID amplifier. Seminar in Tarbiat Modarres University. Tehran-Iran.
    13. Honarparvar, B., and Kasaee, M. (2000): PM3 Calculations on Nitro – Nitrite Rearrangement. 8th Iranian Seminar of Organic Chemistry in Kashan University. Kashan -Iran.

    EXTRA ACTIVIIES AND HOBBIES
    Visiting the international scientific exhibitions, painting galleries.
    Painting- Swimming-traveling-reading poem