Interactions of a multifunctional di-triazole derivative with Alzheimer's Aβ42monomer and Aβ42protofibril: a systematic molecular dynamics study-Reference-Cited by-同舟云学术

Interactions of a multifunctional di-triazole derivative with Alzheimer's Aβ42monomer and Aβ42protofibril: a systematic molecular dynamics study

Published:2020 Issue:3 Volume:22 Page:1543-1556
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Kaur Anupamjeet¹²³⁴⁵^ORCID,Shuaib Suniba¹²³⁴⁵,Goyal Deepti¹²³⁴⁵^ORCID,Goyal Bhupesh⁶⁷⁸⁵^ORCID

Affiliation:

1. Department of Chemistry

2. Faculty of Basic and Applied Sciences

3. Sri Guru Granth Sahib World University

4. Fatehgarh Sahib-140406

5. India

6. School of Chemistry & Biochemistry

7. Thapar Institute of Engineering & Technology

8. Patiala-147004

Abstract

The molecular dynamics simulations results highlighted that the multi-target-directed ligand6nstabilizes the native α-helix conformation of the Aβ₄₂monomer and induces a sizable destabilization in the Aβ₄₂protofibril structure.

Funder

Science and Engineering Research Board

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP04775A

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