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  1. Structural Stabilization and Functional Improvement of Horseradish Peroxidase upon Modification of Accessible Lysines: Experiments and Simul...

    Biophysical Journal 92(4):1192 (2007) PMID 17114227 PMCID PMC1783884

    We previously reported that covalent attachment of an electron relay (anthraquinone 2-carboxylic acid) to the surface-exposed Lys residues successfully improves electron transfer properties of HRP. Here we investigated structural and functional consequences of this modification, which alters three a...
  2. Fibrillation of alpha-lactalbumin: effect of crocin and safranal, two natural small molecules from Crocus sativus.

    Biopolymers 93(10):854 (2010) PMID 20564050

    We investigated the inhibitory effect of crocin and safranal, two principal components of saffron, on fibrillation of apo-alpha-lactalbumin (a-alpha-LA), used as a model protein, under amyloidogenic conditions. In the absence of any ligand, formation of soluble oligomers became evident after 18 hour...
  3. Molecular Dynamics Simulation of Interaction of a Cytotoxin with a Lipid Bilayer: A Multiscale Modeling

    Biophysical Journal 102(3):452a (2012)

  4. Nanomechanical properties of lipid bilayer: asymmetric modulation of lateral pressure and surface tension due to protein insertion in one le...

    The Journal of Chemical Physics 138(6):065101 (2013) PMID 23425492

    Our simulations reveal that the insertion of CTX A3 into one monolayer results in an asymmetrical change in the lateral pressure and corresponding spatial distribution of surface tension of the individual bilayer leaflets. The relative variation in the surface tension of the two monolayers as a resu...
  5. Structural and functional characterization of a mutant of Pseudocerastes persicus natriuretic peptide.

    Protein & Peptide Letters 13(3):295 (2006) PMID 16515458

    We hereby report on a mutational analysis of a novel natriuretic peptide (PNP), recently isolated by us from the Iranian snake venom. The PNP variant (mutPNP) with four substitutions (G16T, K18S, R21S, G23R) and a disulfide bonded ring shortened by 3 residues. mutPNP peptide was expressed in pET32 a...
  6. Turn plasticity distinguishes different modes of amyloid-β aggregation.

    Journal of the American Chemical Society 136(13):4913 (2014) PMID 24617810

    We demonstrate that phosphorylation at serine 26 (S26) impairs Aβ fibrillization while stabilizing its monomers and nontoxic soluble assemblies of nonfibrillar morphology. NMR spectroscopy and replica-exchange molecular dynamics indicate that introduction of a phosphate group or phosphomimetic at po...
  7. Conformational Changes ofα-Chymotrypsin in a Fibrillation-Promoting Condition: A Molecular Dynamics Study

    Biophysical Journal 95(9):4139 (2008) PMID 18658209 PMCID PMC2567952

    We employed a molecular dynamics simulation to investigate the early events in TFE-induced conformational changes of aCT that precede amyloid formation, and compared the results of the simulation with previous experiments. TFE molecules were found to rapidly replace the water molecules closely assoc...
  8. Potent modulation of the voltage-gated sodium channel Nav1.7 by OD1, a toxin from the scorpion Odonthobuthus doriae.

    Molecular Pharmacology 70(1):405 (2006) PMID 16641312

    We investigated the effects of OD1, a scorpion toxin isolated from the venom of the scorpion Odonthobuthus doriae. Nav1.3, Nav1.7, and Nav1.8 channels were coexpressed with beta1-subunits in Xenopus laevis oocytes. Na+ currents were recorded with the two-electrode voltage-clamp technique. OD1 modula...
  9. Publisher's Note: "Nanomechanical properties of lipid bilayer: Asymmetric modulation of lateral pressure and surface tension due to protein ...

    The Journal of Chemical Physics 138(13):139901 (2013) PMID 23574257

  10. OD1, the first toxin isolated from the venom of the scorpionOdonthobuthus doriaeactive on voltage-gated Na+channels

    FEBS Letters 579(19):4181 (2005) PMID 16038905

    We isolated and pharmacologically characterized the first α-like toxin from the venom of the scarcely studied Iranian scorpion Odonthobuthus doriae. The toxin was termed OD1 and its primary sequence was determined: GVRDAYIADDKNCVYTCASNGYCNTECTKNGAESGYCQWIGRYGNACWCIKLPDEVPIRIPGKCR. Using the t...