مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

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Information Journal Paper

Title

MOLECULAR DYNAMICS SIMULATIONS OF Aβ (1-42) AND Aβ (1-40): A COMPARATIVE STUDY TO DETERMINE THEIR ROLE IN THE DEVELOPMENT OF ALZHEIMER’S DISEASE

Pages

  43-49

Abstract

 Aim and background: Pathological studies have suggested that formation of fibrous plaques and accumulated masses of amyloid beta peptides in central nervous system is one of the causes to ALZHEIMER’s disease. Since these diseases depend on conformational structure of protein, we investigate initial conformational changes of Ab (1-42) and Ab (1-40 by molecular dynamic simulations in this paper.Materials and methods: The solution NMR structures of Ab (1-42) and Ab (1-40) (protein data bank: 1IYT 1& BA4) was chosen as a template for comparative modeling. All simulations and data analysis were performed by GROMACS program with the united-atom protein force field. The final sampling simulations were 20-ns MD simulations, 310K and constant pressure (1 bar).Results: The results of RMSD, RADIUS OF GYRATION and SOLVENT ACCESSIBLE SURFACE AREA showed that structural changes, flexibility and the propensity to aggregation of Ab (1-42) is more than Ab (1-40).Conclusions: The SOLVENT ACCESSIBLE SURFACE AREA show the hydrophobicity interaction have important role in aggregation and creation of deformed structures. Our data showed that Ab (1-42) have critical role in the development of ALZHEIMER’s disease.

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    APA: Copy

    FOOLADVAND MANSOURI, SAKINEH, HABIBI FAZI, LAILA, & MINUCHEHR, ZARRIN. (2016). MOLECULAR DYNAMICS SIMULATIONS OF Aβ (1-42) AND Aβ (1-40): A COMPARATIVE STUDY TO DETERMINE THEIR ROLE IN THE DEVELOPMENT OF ALZHEIMER’S DISEASE. NEW CELLULAR & MOLECULAR BIOTECHNOLOGY JOURNAL, 6(24), 43-49. SID. https://sid.ir/paper/691482/en

    Vancouver: Copy

    FOOLADVAND MANSOURI SAKINEH, HABIBI FAZI LAILA, MINUCHEHR ZARRIN. MOLECULAR DYNAMICS SIMULATIONS OF Aβ (1-42) AND Aβ (1-40): A COMPARATIVE STUDY TO DETERMINE THEIR ROLE IN THE DEVELOPMENT OF ALZHEIMER’S DISEASE. NEW CELLULAR & MOLECULAR BIOTECHNOLOGY JOURNAL[Internet]. 2016;6(24):43-49. Available from: https://sid.ir/paper/691482/en

    IEEE: Copy

    SAKINEH FOOLADVAND MANSOURI, LAILA HABIBI FAZI, and ZARRIN MINUCHEHR, “MOLECULAR DYNAMICS SIMULATIONS OF Aβ (1-42) AND Aβ (1-40): A COMPARATIVE STUDY TO DETERMINE THEIR ROLE IN THE DEVELOPMENT OF ALZHEIMER’S DISEASE,” NEW CELLULAR & MOLECULAR BIOTECHNOLOGY JOURNAL, vol. 6, no. 24, pp. 43–49, 2016, [Online]. Available: https://sid.ir/paper/691482/en

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    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
    مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources
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