Cargando…
Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease
Alzheimer’s disease (AD) is a widespread dynamic neurodegenerative malady. Its etiology is still not clear. One of the foremost pathological features is the extracellular deposits of Amyloid-beta (Aβ) peptides in senile plaques. The interaction of Aβ and the receptor for advanced glycation end produ...
Autores principales: | , , , , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6767296/ https://www.ncbi.nlm.nih.gov/pubmed/31491967 http://dx.doi.org/10.3390/molecules24183233 |
_version_ | 1783454884794728448 |
---|---|
author | Ahmad, Syed Sayeed Khan, Haroon Danish Rizvi, Syed Mohd. Ansari, Siddique Akber Ullah, Riaz Rastrelli, Luca Mahmood, Hafiz Majid Siddiqui, Mohd. Haris |
author_facet | Ahmad, Syed Sayeed Khan, Haroon Danish Rizvi, Syed Mohd. Ansari, Siddique Akber Ullah, Riaz Rastrelli, Luca Mahmood, Hafiz Majid Siddiqui, Mohd. Haris |
author_sort | Ahmad, Syed Sayeed |
collection | PubMed |
description | Alzheimer’s disease (AD) is a widespread dynamic neurodegenerative malady. Its etiology is still not clear. One of the foremost pathological features is the extracellular deposits of Amyloid-beta (Aβ) peptides in senile plaques. The interaction of Aβ and the receptor for advanced glycation end products at the blood-brain barrier is also observed in AD, which not only causes the neurovascular anxiety and articulation of proinflammatory cytokines, but also directs reduction of cerebral bloodstream by upgrading the emission of endothelin-1 to induce vasoconstriction. In this process, RAGE is deemed responsible for the influx of Aβ into the brain through BBB. In the current study, we predicted the interaction potential of the natural compounds vincamine, ajmalicine and emetine with the Aβ peptide concerned in the treatment of AD against the standard control, curcumin, to validate the Aβ peptide–compounds results. Protein-protein interaction studies have also been carried out to see their potential to inhibit the binding process of Aβ and RAGE. Moreover, the current study verifies that ligands are more capable inhibitors of a selected target compared to positive control with reference to ΔG values. The inhibition of Aβ and its interaction with RAGE may be valuable in proposing the next round of lead compounds for effective Alzheimer’s disease treatment. |
format | Online Article Text |
id | pubmed-6767296 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-67672962019-10-02 Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease Ahmad, Syed Sayeed Khan, Haroon Danish Rizvi, Syed Mohd. Ansari, Siddique Akber Ullah, Riaz Rastrelli, Luca Mahmood, Hafiz Majid Siddiqui, Mohd. Haris Molecules Article Alzheimer’s disease (AD) is a widespread dynamic neurodegenerative malady. Its etiology is still not clear. One of the foremost pathological features is the extracellular deposits of Amyloid-beta (Aβ) peptides in senile plaques. The interaction of Aβ and the receptor for advanced glycation end products at the blood-brain barrier is also observed in AD, which not only causes the neurovascular anxiety and articulation of proinflammatory cytokines, but also directs reduction of cerebral bloodstream by upgrading the emission of endothelin-1 to induce vasoconstriction. In this process, RAGE is deemed responsible for the influx of Aβ into the brain through BBB. In the current study, we predicted the interaction potential of the natural compounds vincamine, ajmalicine and emetine with the Aβ peptide concerned in the treatment of AD against the standard control, curcumin, to validate the Aβ peptide–compounds results. Protein-protein interaction studies have also been carried out to see their potential to inhibit the binding process of Aβ and RAGE. Moreover, the current study verifies that ligands are more capable inhibitors of a selected target compared to positive control with reference to ΔG values. The inhibition of Aβ and its interaction with RAGE may be valuable in proposing the next round of lead compounds for effective Alzheimer’s disease treatment. MDPI 2019-09-05 /pmc/articles/PMC6767296/ /pubmed/31491967 http://dx.doi.org/10.3390/molecules24183233 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Ahmad, Syed Sayeed Khan, Haroon Danish Rizvi, Syed Mohd. Ansari, Siddique Akber Ullah, Riaz Rastrelli, Luca Mahmood, Hafiz Majid Siddiqui, Mohd. Haris Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease |
title | Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease |
title_full | Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease |
title_fullStr | Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease |
title_full_unstemmed | Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease |
title_short | Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer’s Disease |
title_sort | computational study of natural compounds for the clearance of amyloid-βeta: a potential therapeutic management strategy for alzheimer’s disease |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6767296/ https://www.ncbi.nlm.nih.gov/pubmed/31491967 http://dx.doi.org/10.3390/molecules24183233 |
work_keys_str_mv | AT ahmadsyedsayeed computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease AT khanharoon computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease AT danishrizvisyedmohd computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease AT ansarisiddiqueakber computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease AT ullahriaz computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease AT rastrelliluca computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease AT mahmoodhafizmajid computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease AT siddiquimohdharis computationalstudyofnaturalcompoundsfortheclearanceofamyloidbetaapotentialtherapeuticmanagementstrategyforalzheimersdisease |