The Reactivity Sites of Amyloid β-Peptides Aβ40 and Aβ42 in Alzheimer's Disease: Computational Prediction

Frau, Juan and Glossman-Mitnik, Daniel (2021) The Reactivity Sites of Amyloid β-Peptides Aβ40 and Aβ42 in Alzheimer's Disease: Computational Prediction. In: Challenges and Advances in Chemical Science Vol. 2. B P International, pp. 45-51. ISBN 978-93-91312-12-1

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Abstract

Alzheimer's disease is a progressive nervous system disorder linked to the presence of extracellular senile plaques. Extracellular senile plaques are mostly made up of 40-42 residues of amino acid-containing polypeptides known as
-peptides. The Theory of Chemical Reactivity, MEDT (Molecular Electron Density Theory), and Conceptual DFT were used to find descriptors that allowed QM:MM calculations with the ONIOM methodology to predict the sites of reactivity of the Alzheimer amyloid
-peptides A
40 and A
42.

Item Type: Book Section
Subjects: Science Global Plos > Chemical Science
Depositing User: Unnamed user with email support@science.globalplos.com
Date Deposited: 05 Dec 2023 04:20
Last Modified: 05 Dec 2023 04:20
URI: http://ebooks.manu2sent.com/id/eprint/1821

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