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Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β. / Khurshid, Beenish; Rehman, Ashfaq Ur; Muhammad, Shabbir et al.
In: ACS Omega, Vol. 7, No. 25, 28.06.2022, p. 22032-22038.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Khurshid, B, Rehman, AU, Muhammad, S, Wadood, A & Anwar, J 2022, 'Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β', ACS Omega, vol. 7, no. 25, pp. 22032-22038. https://doi.org/10.1021/acsomega.2c02995

APA

Khurshid, B., Rehman, A. U., Muhammad, S., Wadood, A., & Anwar, J. (2022). Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β. ACS Omega, 7(25), 22032-22038. https://doi.org/10.1021/acsomega.2c02995

Vancouver

Khurshid B, Rehman AU, Muhammad S, Wadood A, Anwar J. Toward the Noninvasive Diagnosis of Alzheimer’s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β. ACS Omega. 2022 Jun 28;7(25):22032-22038. Epub 2022 Jun 13. doi: 10.1021/acsomega.2c02995

Author

Khurshid, Beenish ; Rehman, Ashfaq Ur ; Muhammad, Shabbir et al. / Toward the Noninvasive Diagnosis of Alzheimer’s Disease : Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β. In: ACS Omega. 2022 ; Vol. 7, No. 25. pp. 22032-22038.

Bibtex

@article{1ef3948487634d92b6806ef21f3807cd,
title = "Toward the Noninvasive Diagnosis of Alzheimer{\textquoteright}s Disease: Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β",
abstract = "Recent studies show that curcumin, a naturally fluorescent dye, can be used for the noninvasive optical imaging of retinal amyloid-β (Aβ) plaques. We investigated the molecular basis for curcumin{\textquoteright}s specificity for hierarchical Aβ structures using molecular dynamics simulations, with a focus on how curcumin is able to detect and discriminate different amyloid morphologies. Curcumin inhibits and breaks up β-sheet formation in Aβ monomers. With disordered Aβ structures, curcumin forms a coarse-grained composite structure. With an ordered fibril, curcumin{\textquoteright}s interaction is highly specific, and the curcumin molecules are deposited in the fibril groove. Curcumin tends to self-aggregate, which is finely balanced with its affinity for Aβ. This tendency concentrates curcumin molecules at Aβ deposition sites, potentially increasing the fluorescence signal. This is probably why curcumin is such an effective amyloid imaging agent.",
keywords = "General Chemical Engineering, General Chemistry",
author = "Beenish Khurshid and Rehman, {Ashfaq Ur} and Shabbir Muhammad and Abdul Wadood and Jamshed Anwar",
year = "2022",
month = jun,
day = "28",
doi = "10.1021/acsomega.2c02995",
language = "English",
volume = "7",
pages = "22032--22038",
journal = "ACS Omega",
issn = "2470-1343",
publisher = "American Chemical Society",
number = "25",

}

RIS

TY - JOUR

T1 - Toward the Noninvasive Diagnosis of Alzheimer’s Disease

T2 - Molecular Basis for the Specificity of Curcumin for Fibrillar Amyloid-β

AU - Khurshid, Beenish

AU - Rehman, Ashfaq Ur

AU - Muhammad, Shabbir

AU - Wadood, Abdul

AU - Anwar, Jamshed

PY - 2022/6/28

Y1 - 2022/6/28

N2 - Recent studies show that curcumin, a naturally fluorescent dye, can be used for the noninvasive optical imaging of retinal amyloid-β (Aβ) plaques. We investigated the molecular basis for curcumin’s specificity for hierarchical Aβ structures using molecular dynamics simulations, with a focus on how curcumin is able to detect and discriminate different amyloid morphologies. Curcumin inhibits and breaks up β-sheet formation in Aβ monomers. With disordered Aβ structures, curcumin forms a coarse-grained composite structure. With an ordered fibril, curcumin’s interaction is highly specific, and the curcumin molecules are deposited in the fibril groove. Curcumin tends to self-aggregate, which is finely balanced with its affinity for Aβ. This tendency concentrates curcumin molecules at Aβ deposition sites, potentially increasing the fluorescence signal. This is probably why curcumin is such an effective amyloid imaging agent.

AB - Recent studies show that curcumin, a naturally fluorescent dye, can be used for the noninvasive optical imaging of retinal amyloid-β (Aβ) plaques. We investigated the molecular basis for curcumin’s specificity for hierarchical Aβ structures using molecular dynamics simulations, with a focus on how curcumin is able to detect and discriminate different amyloid morphologies. Curcumin inhibits and breaks up β-sheet formation in Aβ monomers. With disordered Aβ structures, curcumin forms a coarse-grained composite structure. With an ordered fibril, curcumin’s interaction is highly specific, and the curcumin molecules are deposited in the fibril groove. Curcumin tends to self-aggregate, which is finely balanced with its affinity for Aβ. This tendency concentrates curcumin molecules at Aβ deposition sites, potentially increasing the fluorescence signal. This is probably why curcumin is such an effective amyloid imaging agent.

KW - General Chemical Engineering

KW - General Chemistry

U2 - 10.1021/acsomega.2c02995

DO - 10.1021/acsomega.2c02995

M3 - Journal article

VL - 7

SP - 22032

EP - 22038

JO - ACS Omega

JF - ACS Omega

SN - 2470-1343

IS - 25

ER -