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Amyloid cascade hypothesis: Pathogenesis and therapeutic strategies in Alzheimer's disease
Alzheimer's disease is an irreversible, progressive neurodegenerative disorder. Various therapeutic approaches are being used to improve the cholinergic neurotransmission, but their role in ADExpand
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Probing the outer mouth structure of the HERG channel with peptide toxin footprinting and molecular modeling.
Previous studies have shown that the unusually long S5-P linker lining human ether a-go-go related gene's (hERG's) outer vestibule is critical for its channel function: point mutations at high-impactExpand
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Insights into the molecular interactions between aminopeptidase and amyloid beta peptide using molecular modeling techniques
Amyloid beta (Aβ) peptides play a central role in the pathogenesis of Alzheimer’s disease. The accumulation of Aβ peptides in AD brain was caused due to overproduction or insufficient clearance andExpand
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Structural analysis of membrane-bound hECE-1 dimer using molecular modeling techniques: insights into conformational changes and Aβ1–42 peptide binding
The human endothelin converting enzyme-1 (hECE-1) is a homodimer linked by a single disulfide bridge and has been identified as an important target for Alzheimer’s disease. Structural analysis ofExpand
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Conformational Preferences of Modified Nucleoside N(4)-Acetylcytidine, ac4C Occur at “Wobble” 34th Position in the Anticodon Loop of tRNA
Conformational preferences of modified nucleoside, N(4)-acetylcytidine, ac4C have been investigated using quantum chemical semi-empirical RM1 method. Automated geometry optimization using PM3 methodExpand
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Insight into molecular interactions of Aβ peptide and gelatinase from Enterococcus faecalis: a molecular modeling approach
Alzheimer's disease is characterized by the presence of extracellular deposition of amyloid beta (Aβ) peptides. The Aβ levels are maintained by a suitable balance between its production and clearanceExpand
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Simulated Interactions between Endothelin Converting Enzyme and Aβ Peptide: Insights into Subsite Recognition and Cleavage Mechanism
Alzheimer’s disease (AD) is a most common form of dementia caused due to aggregation of amyloid beta (Aβ) peptides in brain. The AD brain exhibits extracellular deposition of Aβ-peptides whichExpand
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Identification of Angiotensin Converting Enzyme Inhibitor: An In Silico Perspective
Angiotensin Converting Enzyme (ACE) regulates blood pressure and electrolyte balance by converting angiotensin I into angiotensin II, which acts as vasoconstrictor and aldosterone-stimulatingExpand
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Homology modeling, molecular docking and MD simulation studies to investigate role of cysteine protease from Xanthomonas campestris in degradation of Aβ peptide
TLDR
Three-dimensional model of cysteine protease built by MODELLER 9v7 shows similarity with human cathepsin B crystal structure. Expand
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Iso-energetic multiple conformations of hypermodified nucleic acid base wybutine (yW) which occur at 37(th) position in anticodon loop of tRNA(Phe).
Conformational preferences of wybutine (yW) have been studied by quantum chemical semi-empirical Perturbative Configuration Interaction with Localized Orbitals (PCILO) and PM3 methods. Automated fullExpand
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