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Dr. Mahreen Arooj Academic RankAssistant Professor

Specialization:

  • Computational Chemistry

Research Interests:

  • I use computational chemistry, molecular modelling, and structural bioinformatics to investigate a number of areas of biophysical, biomedical and pharmaceutical importance such as  Ligand-protein and protein-protein interactions  Proteins unfolding and ion transfer at electrified liquid-liquid interfaces  Development and application of quantitative structure-activity relationships (QSAR) of bioactive compounds  Molecular docking, Virtual screening  Structure-based and ligand-based drug design  Pharmacophore modelling  Homology modelling of protein structure  Multi-target drug design using computational systems biology approaches  Structural and functional similarity analysis of proteins

Contact

 Ph.D in Computational Chemistry, 2013, Gyeongsang National University, South Korea  M.Sc in Chemistry, 2010, Gyeongsang National University, South Korea
 Sept. 2018 –present, Assistant Professor, University of Sharjah, UAE.  Sept. 2018 –present, Adjunct Research Fellow, School of Pharmacy &Biomedical Sciences, Curtin University, Australia  Feb. 2014 –Aug. 2018, Curtin Research Fellow,School of Pharmacy &Biomedical Sciences, Curtin University, Australia.  Sept. 2013 –Jan. 2014, Postdoctoral Research Fellow, Plant Molecular Biology and Biotechnology Research Centre (PMBBRC), Gyeongsang National University, South Korea.
 Teaching at undergraduate and graduate level.  Supervision of students in research projects at undergraduate and graduate level.  Participation in thesis and oral examination committees  Reviewer of Scientific journals.  Member of various committees at departmental and college level.  Research presentations at Conferences/Seminars
 The search for potential inhibitors for COVID-19 using drugs repositioning and synthetic methods.  Computational studies of Lysozyme and Human Serum Albumin Proteins as Cardiovascular Drug Carriers.  Computational studies for the Characterization of Aryl/Heterocyclic Sulfonyl Ureas for Treatment of Diabetes.  Unfolding of proteins at electrified liquid-liquid interfaces
1. Arooj, M., Parambath, J. B., Ali, N., Khan, A., Malik, S., Bilal, M., & Mohamed, A. A. (2022). Experimental and theoretical review on covalent coupling and elemental doping of carbon nanomaterials for environmental photocatalysis. Critical Reviews in Solid State and Materials Sciences, 1-42. 2. Arooj, M., Shehadi, I., Nassab, C.N. and Mohamed, A.A., (2021). Computational insights into binding mechanism of drugs as potential inhibitors against SARS-CoV-2 targets. Chemical Papers, pp.1-11. 3. Nassab, C.N., Arooj, M., Shehadi, I.A., Parambath, J.B., Kanan, S.M. and Mohamed, A.A., (2021). Lysozyme and Human Serum Albumin Proteins as Potential Nitric Oxide Cardiovascular Drug Carriers: Theoretical and Experimental Investigation. The Journal of Physical Chemistry B. 4. Tangella, L. P., Arooj, M., Deplazes, E., Gray, E. S., & Mancera, R. L. (2021). Identification and characterisation of putative drug binding sites in human ATP-binding cassette B5 (ABCB5) transporter. Computational and structural biotechnology journal, 19, 691-704. 5. M., Arooj, Shehadi, I.,... & Mohamed, A. A. (2020). Physicochemical Stability Study of Protein-Benzoic Acid Complexes using Molecular Dynamics Simulations. Aminoacids. 6. AlBab, N. D., Hameed, M. K., Maresova, A., Ahmady, I. M., Arooj, M., Han, C., ... & Mohamed, A. A. (2020). Inhibition of amyloid fibrillation, enzymatic degradation and cytotoxicity of insulin at carboxyl tailored gold-aryl nanoparticles surface. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 586, 124279. 7. Arooj, M., Arrigan, D. W., & Mancera, R. L. (2019). Characterization of Protein-Facilitated Ion-Transfer Mechanism at a Polarized Aqueous/Organic Interface. The Journal of Physical Chemistry B, 123(34), 7436-7444. 8. Iqbal, Z., Morahan, G., Arooj, M., Sobolev, A. N., & Hameed, S. (2019). Synthesis of new arylsulfonylspiroimidazolidine-2ʹ, 4ʹ-diones and study of their effect on stimulation of insulin release from MIN6 cell line, inhibition of human aldose reductase, sorbitol accumulations in various tissues and oxidative stress. European journal of medicinal chemistry, 168, 154-175. 9. Booth, S. G., Felisilda, B. M. B., Alvarez de Eulate, E., Gustafsson, O. J., Arooj, M., Mancera, R. L., ... & Arrigan, D. W. (2019). Secondary Structural Changes in Proteins as a Result of Electroadsorption at Aqueous–Organogel Interfaces. Langmuir, 35(17), 5821-5829. 10. Ahmady, I. M., Hameed, M. K., Almehdi, A. M., Arooj, M., Workie, B., Sahle-Demessie, E., ... & Mohamed, A. A. (2019). Green and cytocompatible carboxyl modified gold–lysozyme nanoantibacterial for combating multidrug-resistant superbugs. Biomaterials Science, 7(12), 5016-5026. 11. Kar, P., Ruiz‐Perez, L., Arooj, M., & Mancera, R. L. (2018). Current methods for the prediction of T‐cell epitopes. Peptide Science, 110(2), e24046. 12. Harb, L. H., Arooj, M., Vrielink, A., & Mancera, R. L. (2017). Computational site‐directed mutagenesis studies of the role of the hydrophobic triad on substrate binding in cholesterol oxidase. Proteins: Structure, Function, and Bioinformatics. 13. Arooj, M., Gandhi, N. S., Kreck, C. A., Arrigan, D. W., & Mancera, R. L. (2016)Adsorption and Unfolding of Lysozyme at a Polarized Aqueous–Organic Liquid Interface. The Journal of Physical Chemistry B, 120(12), 3100-3112. 14. Arooj, M., et.Al. (2015)Finding off‐targets, biological pathways, and target diseases for chymase inhibitors via structure‐based systems biology approach. Proteins: Structure, Function, and Bioinformatics, 83(7), 1209-1224. 15. Arooj, M., Sakkiah, S., Kim, S., Arulalapperumal, V., & Lee, K. W. (2013) A combination of receptor-based pharmacophore modeling & QM techniques for identification of human chymase inhibitors. PLoS One, 8(4), e63030.
 Computational studies of Lysozyme and Human Serum Albumin Proteins as Cardiovascular Drug Carriers.  Computational studies for the Characterization of Aryl/Heterocyclic Sulfonyl Ureas for Treatment of Diabetes.  Physicochemical Stability Study of Protein-Benzoic Acid Complexes using Molecular Dynamics Simulations.  Computational site‐directed mutagenesis studies of the role of the hydrophobic triad on substrate binding in cholesterol oxidase.
 “Curtin Early Career Research Fellowship Award” (2014-2018), Curtin University, Australia.  “Young Pioneer Researcher Award” (2013), College of Natural Science, Gyeongsang National University, South Korea  “Young Pioneer Researcher Award” (2012), College of Natural Science, Gyeongsang National University, South Korea.  “BK21 Scholarship Award” (2011-2013) College of Natural Science, Gyeongsang National University, South Korea  “Researcher Award” (2009), Department of Chemistry, Gyeongsang National University, South Korea  “BK21 Scholarship Award” (2008-2010) Department of Chemistry, Gyeongsang National University, South Korea
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