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Information Journal Paper

Title

STUDY OF INHIBITION OF Aβ42 AGGREGATION AND OLIGOMER FORMING WITH DOCKING AND MD SIMULATION

Pages

  39-48

Keywords

ALZHEIMER’S DISEASE (AD)Q2
AMYLOID BETA (Aβ)Q2
MOLECULAR DYNAMICS (MD) SIMULATIONQ1

Abstract

 Alzheimer’s disease (AD) is the most common type of dementia in the elderly. The neuropathology and treatment of AD is not precisely determined yet, but according to the pathological studies, AD is associated with presence of toxic soluble oligomers and insoluble senile plaques formed by amyloidosis of Amyloid Beta (Ab) in neocortical region of brain. The V10HHQKLVFFAE22 is a critical region of Ab42 which facilitates aggregation process. An attractive therapeutic approach to treat AD is to identify small ligands that are capable of binding to critical residues in order to inhibit or reverse Ab amyloidosis process as source of neurotoxicity. In this area, therapeutic efforts designed various organic agents and most of them focused on the Nterminal sequence of Ab. Here, a peptide inhibitor derived from the C-terminal of Ab (G33LMVG37) is utilized as inhibitor and combined DOCKING and Molecular dynamics simulation used to find the binding sights in the critical region (V10HHQKLVFFAE22). The simulation identified tree stable sites for process of penta peptide binding to Aβ42 as an inhibitor. This result indicate that this penta-peptide is capable to inhibit aggregation process and can be consider as an AD drug for preclinical studies.

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  • Cite

    APA: Copy

    KHANDAN, VAHID, FIROOZABADI DEHGHAN, BAHAR, & Saidi, Mohammad Said. (2015). STUDY OF INHIBITION OF Aβ42 AGGREGATION AND OLIGOMER FORMING WITH DOCKING AND MD SIMULATION. MODARES MECHANICAL ENGINEERING, 15(1), 39-48. SID. https://sid.ir/paper/179320/en

    Vancouver: Copy

    KHANDAN VAHID, FIROOZABADI DEHGHAN BAHAR, Saidi Mohammad Said. STUDY OF INHIBITION OF Aβ42 AGGREGATION AND OLIGOMER FORMING WITH DOCKING AND MD SIMULATION. MODARES MECHANICAL ENGINEERING[Internet]. 2015;15(1):39-48. Available from: https://sid.ir/paper/179320/en

    IEEE: Copy

    VAHID KHANDAN, BAHAR FIROOZABADI DEHGHAN, and Mohammad Said Saidi, “STUDY OF INHIBITION OF Aβ42 AGGREGATION AND OLIGOMER FORMING WITH DOCKING AND MD SIMULATION,” MODARES MECHANICAL ENGINEERING, vol. 15, no. 1, pp. 39–48, 2015, [Online]. Available: https://sid.ir/paper/179320/en

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