Unravelling the destabilization potential of ellagic acid on α-synuclein fibrils using molecular dynamics simulations-Reference-Cited by-同舟云学术

Unravelling the destabilization potential of ellagic acid on α-synuclein fibrils using molecular dynamics simulations

Published:2023 Issue:11 Volume:25 Page:8128-8143
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mankoo Opinder Kaur¹^ORCID,Kaur Anupamjeet¹^ORCID,Goyal Deepti²^ORCID,Goyal Bhupesh³^ORCID

Affiliation:

1. Department of Chemistry, Faculty of Basic and Applied Sciences, Sri Guru Granth Sahib World University, Fatehgarh Sahib 140406, Punjab, India

2. Department of Chemistry, DAV College, Sector 10, Chandigarh 160011, India

3. School of Chemistry & Biochemistry, Thapar Institute of Engineering & Technology, Patiala 147004, Punjab, India

Abstract

MD simulations shed light on the specific interactions between β-sheet-rich fibrils of α-Syn and ellagic acid (EA). EA destabilizes α-Syn fibrils by lowering the interchain hydrogen bonds and binding affinity between chains H and J of α-Syn fibril.

Funder

Council of Scientific and Industrial Research, India

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP06006J

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