Dataset Information

Computational Study of Natural Compounds for the Clearance of Amyloid-?eta: A Potential Therapeutic Management Strategy for Alzheimer's Disease.

ABSTRACT: 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 (A?) peptides in senile plaques. The interaction of A? 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 A? into the brain through BBB. In the current study, we predicted the interaction potential of the natural compounds vincamine, ajmalicine and emetine with the A? peptide concerned in the treatment of AD against the standard control, curcumin, to validate the A? peptide-compounds results. Protein-protein interaction studies have also been carried out to see their potential to inhibit the binding process of A? and RAGE. Moreover, the current study verifies that ligands are more capable inhibitors of a selected target compared to positive control with reference to ?G values. The inhibition of A? and its interaction with RAGE may be valuable in proposing the next round of lead compounds for effective Alzheimer's disease treatment.

SUBMITTER: Ahmad SS

PROVIDER: S-EPMC6767296 | biostudies-literature | 2019 Sep

REPOSITORIES: biostudies-literature

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Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer's Disease.

Ahmad Syed Sayeed SS Khan Haroon H Danish Rizvi Syed Mohd SM Ansari Siddique Akber SA Ullah Riaz R Rastrelli Luca L Mahmood Hafiz Majid HM Siddiqui Mohd Haris MH

Molecules (Basel, Switzerland) 20190905 18

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 ...[more]

PMID: 31491967

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Dataset Information

Computational Study of Natural Compounds for the Clearance of Amyloid-?eta: A Potential Therapeutic Management Strategy for Alzheimer's Disease.

Publications

Computational Study of Natural Compounds for the Clearance of Amyloid-Βeta: A Potential Therapeutic Management Strategy for Alzheimer's Disease.

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