Maral Aminpour

Maral Aminpour
University of Alberta | UAlberta · Department of Biomedical Engineering

PhD

About

30
Publications
3,728
Reads
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219
Citations
Introduction
My research interest is mainly on computational biomaterials and biophysics and drug discovery. My current focus is on multi-scale atomic and molecular modelling of biological systems, including developing fundamental and detailed understanding of biomolecular systems and their mechanisms of function. In addition, I am interested in modelling of the interfaces of biological systems with materials (hybrid systems).
Additional affiliations
April 2016 - present
University of Alberta
Position
  • Research Associate
Description
  • Lead of Multiscale Computational Analysis Group at Ingenuity Lab
September 2014 - April 2016
University of Alberta
Position
  • PostDoc Position
January 2008 - December 2013
University of Central Florida
Position
  • Research Assistant

Publications

Publications (30)
Article
Full-text available
Biomining of valuable metals using a target specific approach promises increased purification yields and decreased cost. Target specificity can be implemented with proteins/peptides, the biological molecules, responsible from various structural and functional pathways in living organisms by virtue of their specific recognition abilities towards bot...
Article
We have developed two functionalized β-sheet peptides (FBPs) and demonstrated that they can stabilize a variety of integral membrane proteins (IMPs), and most importantly allow covalent crosslinking of the IMPs...
Article
Full-text available
Catalytic hydrogenation is an important process used for the production of everything from foods to fuels. Current heterogeneous implementations of this process utilize metals as the active species. Until recently, catalytic heterogeneous hydrogenation over a metal-free solid was unknown; implementation of such a system would eliminate the health,...
Article
Full-text available
Recent advances in experimental DNA origami have dramatically expanded the horizon of DNA nanotechnology. Complex 3D suprastructures have been designed and developed using DNA origami, with applications in biomaterial science, nanomedicine, nanorobotics and molecular computation. Ribonucleic acid (RNA) origami has been recently realized as a new ap...
Article
An Mo(2) S(3) monolayer grown on copper coexists with well-known MoS(2) patches and triangular islands. Imaging by scanning tunneling microscopy after exposure to anthraquinone shows the new structure to be far more active in adsorption, permitting even the formation of a compressed adsorbate layer before other surface areas, including the supposed...
Article
The SARS-CoV-2 virus invades and replicates within host cells by “hijacking” biomolecular machinery, gaining control of the microtubule cytoskeleton. After attaching to membrane receptors and entering cells, the SARS-CoV-2 virus co-opts the dynamic intra-cellular cytoskeletal network of microtubules, actin, and the microtubule-organizing center, en...
Article
Full-text available
Some clinical studies have indicated activity of ivermectin, a macrocyclic lactone, against COVID-19, but a biological mechanism initially proposed for this anti-viral effect is not applicable at physiological concentrations. This in silico investigation explores potential modes of action of ivermectin and 14 related compounds, by which the infecti...
Article
Background: The hyperphosphorylation of tau protein (PPtau) in the brain is the main pathophysiological marker of tauopathies. Recently was found that when induced by a "synthetic torpor" (ST)1 condition (induced on rats), PPtau accumulations is reversible, as observed in hibernators2 . Thus, ST uncover a latent physiological mechanism able to cop...
Article
Full-text available
Background The emergence and rapid spread of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) in thelate 2019 has caused a devastating global pandemic of the severe pneumonia-like disease coronavirus disease 2019 (COVID-19). Although vaccines have been and are being developed, they are not accessible to everyone and not everyone can rec...
Article
Full-text available
Galectin-3 is a carbohydrate-binding protein and the most studied member of the galectin family. It regulates several functions throughout the body, among which are inflammation and post-injury remodelling. Recent studies have highlighted the similarity between Galectin-3′s carbohydrate recognition domain and the so-called “galectin fold” present o...
Article
Purpose: The ultimate goal of this study is to develop a novel delivery system for a new potent cytotoxic compound, CCI-001, with anti-b tubulin activity, so that the drug can be effectively administered and at the same time its harmful side effects can be reduced. Methods: In the current study, CCI-001 was loaded into serum albumin (SA), using...
Preprint
Full-text available
Background The emergence and rapid spread of SARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) at late 2019 has caused a devastating global pandemic of the severe pneumonia-like disease coronavirus disease 2019 (COVID-19). Although vaccines have been and are being developed, they are not accessible to everyone and not everyone can receiv...
Article
Full-text available
Colchicine shows very high antimitotic activity, therefore, it is used as a lead compound for generation of new anticancer agents. In the hope of developing novel, useful drugs with more favourable pharmacological profiles, a series of doubly modified colchicine derivatives has been designed, synthesized and characterized. These novel carbamate or...
Article
Full-text available
Positron emission tomography (PET) using 2‐deoxy‐2‐[18F]fluoro‐D‐glucose ([18F]FDG), a marker of energy metabolism and cell proliferation, is routinely used in the clinic to assess patient response to chemotherapy and to monitor tumor growth. Treatment with some tyrosine kinase inhibitors (TKIs) causes changes in blood glucose levels in both non‐di...
Article
Full-text available
Colchicine is a well-known anticancer compound showing antimitotic effect on cells. Its high cytotoxic activity against different cancer cell lines has been demonstrated many times. In this paper we report the syntheses and spectroscopic analyses of novel colchicine derivatives obtained by structural modifications at C7 (carbon-nitrogen single bond...
Article
This paper reports on the results of research aimed to translate biometric 3D face recognition concepts and algorithms into the field of protein biophysics in order to precisely and rapidly classify morphological features of protein surfaces. Both human faces and protein surfaces are free‐forms and some descriptors used in differential geometry can...
Article
Full-text available
Colchicine is a well-known compound with strong antiproliferative activity that has had limited use in chemotherapy because of its toxicity. In order to create more potent anticancer agents, a series of novel colchicine derivatives have been obtained by simultaneous modification at C7 (amides and sulfonamides) and at C10 (methylamino group) positio...
Article
Full-text available
We report accurate optical measurements of tubulin polarizability in aqueous suspensions. We determined the dependence of polarizability on tubulin concentration and on the suspension’s pH, providing benchmark numbers for quantifying the optical response of this protein in various artificial and cellular environments. We compare our measurement dat...
Article
Full-text available
In this paper we review the current status of high-performance computing applications in the general area of drug discovery. We provide an introduction to the methodologies applied at atomic and molecular scales, followed by three specific examples of implementation of these tools. The first example describes in silico modeling of the adsorption of...
Article
We perform first-principles calculations of the properties of the Mg(0001) surface of thin films to examine the giant oscillations of surface energy and interlayer relaxation of Mg(0001) films as a function of thickness reported previously. We find that, although overcoming the thin-film limit requires up to 25 layers, properties exclusive to the s...
Article
Full-text available
We perform a first-principles study of Mg adatom and adislands on the Mg(0001) surface, and Be adatom on Be(0001), to obtain further insights into the previously reported energetic preference of the fcc faulty stacking of Mg monomers on Mg(0001). We first provide a viewpoint on how Friedel oscillations influence ionic relaxation on these surfaces....
Article
Based on density functional theory (DFT) predictions and scanning tunneling microscopy (STM) measurements we report the possibility of using the Cu(111) surface for growth of molybdenum sulfide nanowires (Mo6S6). Strong substrate interactions coupled with small lattice mismatch lead to epitaxial growth of the nanowires parallel to a set of substrat...
Article
Recent experiments have successfully synthetized MoSX nanostructures in a controlled manner by evaporating Mo adatoms on the copper sulfide monolayer that forms on Cu(111) upon sulfur preloading [1,2]. STM observations and total-energy calculations based on density functional theory, including van-der-Waals interactions, have proposed several struc...
Article
We present the results of ab initio electronic structure calculations for the adsorption characteristics of three amine molecules on Au(111), which show that the inclusion of van der Waals interactions between the isolated molecule and the surface leads in general to good agreement with experimental data on the binding energies. Each molecule, howe...
Article
Recently, the electronic properties and alignment of tetramethyl-1,4-benzenediamine (TMBDA), 1,4-benzenediamine (BDA) and tetrafluro-1,4-benzenediamine (TFBDA) molecules were studied experimentally. Discrepancies were found for both the binding energy and the molecule tilt angle with respect to the surface, when results were compared with density f...
Article
We apply molecular dynamics and molecular static methods to calculate the effect of tensile misfit dislocation on Ni adatom diffusion for Ni/Cu(111) system and compare the results with those calculated previously for Cu adatom on the Cu/Ni(111) system [1] which has compressive dislocation. Our Ni/Cu(111) substrate model system consists of 5 layers...
Article
We apply molecular dynamics and molecular static methods to study the effect of misfit dislocations on adatom diffusion in close proximity to the dislocation core in heteroepitaxial systems, using many-body interaction potentials. Our system consists of several layers (three–seven) of Cu on top of a Ni(111) substrate. The misfit dislocations are cr...
Article
The high density of states (DOS) at the Fermi level and high density of quasi-free electrons result in a singular behavior for Mg surfaces and thin films. We find, however, that the DOS around the Fermi level, surface energy and cohesive energy converge beyond 15 layers. We also show that the Friedel charge density oscillations of Mg(0001) are more...

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Projects (3)