Thioflavin-based molecular probes for application in Alzheimer's disease: from in silico to in vitro models

Metallomics ◽  
2015 ◽  
Vol 7 (1) ◽  
pp. 83-92 ◽  
Author(s):  
C. Rodríguez-Rodríguez ◽  
M. A. Telpoukhovskaia ◽  
J. Alí-Torres ◽  
L. Rodríguez-Santiago ◽  
Y. Manso ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
In Silico ◽  
In Vitro Models ◽  
Molecular Probes ◽  
Drug Candidate ◽  
Chemical Tools

The proposed ThT-based drug candidate series is validated as chemical tools for further in vivo development.

Neuroprotective effect of the hexapeptide HLDF-6 on rat hippocampal neurons on the in vivo and in vitro models of alzheimer’s disease

2006 ◽  
Vol 32 (4) ◽  
pp. 360-367 ◽  
Author(s):  
I. A. Kostanyan ◽  
S. S. Zhokhov ◽  
Z. I. Storozheva ◽  
A. T. Proshin ◽  
E. A. Surina ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Hippocampal Neurons ◽  
Neuroprotective Effect ◽  
In Vitro Models

P1-174: Early detection of β-amyloid aggregation in in vivo and in vitro models of Alzheimer's disease

2010 ◽  
Vol 6 ◽  
pp. S224-S224 ◽  
Author(s):  
Louise A. Scrocchi ◽  
Elizabeth Karaskov ◽  
Vivian Lee ◽  
Hui Chen ◽  
Melissa Osborne ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Early Detection ◽  
In Vitro Models ◽  
Amyloid Aggregation ◽  
Β Amyloid

P2-511: From in silico to in vitro to in vivo: - Novel approach in Alzheimer's disease drug discovery

2011 ◽  
Vol 7 ◽  
pp. S476-S476 ◽  
Author(s):  
Jun Wang ◽  
David Land ◽  
Jorge Galvez ◽  
Giulio Pasinetti
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Drug Discovery ◽  
In Silico ◽  
Novel Approach

scholarly journals Novel Multitarget Hydroxamic Acids with a Natural Origin CAP Group against Alzheimer’s Disease: Synthesis, Docking and Biological Evaluation

Pharmaceutics ◽  
2021 ◽  
Vol 13 (11) ◽  
pp. 1893
Author(s):  
Margarita Neganova ◽  
Yulia Aleksandrova ◽  
Evgenii Suslov ◽  
Evgenii Mozhaitsev ◽  
Aldar Munkuev ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
In Silico ◽  
Hydroxamic Acid ◽  
Hydroxamic Acids ◽  
Biological Evaluation ◽  
Amide Bond ◽  
Morris Water Maze Test

Hydroxamic acids are one of the most promising and actively studied classes of chemical compounds in medicinal chemistry. In this study, we describe the directed synthesis and effects of HDAC6 inhibitors. Fragments of adamantane and natural terpenes camphane and fenchane, combined with linkers of various nature with an amide group, were used as the CAP groups. Accordingly, 11 original target compounds were developed, synthesized, and exposed to in vitro and in vivo biological evaluations, including in silico methods. In silico studies showed that all synthesized compounds were drug-like and could penetrate through the blood–brain barrier. According to the in vitro testing, hydroxamic acids 15 and 25, which effectively inhibited HDAC6 and exhibited anti-aggregation properties against β-amyloid peptides, were chosen as the most promising substances to study their neuroprotective activities in vivo. All in vivo studies were performed using 5xFAD transgenic mice simulating Alzheimer’s disease. In these animals, the Novel Object Recognition and Morris Water Maze Test showed that the formation of hippocampus-dependent long-term episodic and spatial memory was deteriorated. Hydroxamic acid 15 restored normal memory functions to the level observed in control wild-type animals. Notably, this effect was precisely associated with the ability to restore lost cognitive functions, but not with the effect on motor and exploratory activities or on the level of anxiety in animals. Conclusively, hydroxamic acid 15 containing an adamantane fragment linked by an amide bond to a hydrocarbon linker is a possible potential multitarget agent against Alzheimer’s disease.

scholarly journals Comparative Molecular Docking Analysis of Phytoconstituents against Alzheimer’s Disease Targets- An In-Silico Approach

2021 ◽  
Vol 12 (2) ◽  
pp. 1579-1589
Author(s):  
Geethanjali T ◽  
Logesh Kumar S ◽  
Keerthish Sujan B ◽  
Lakshmi Prabhaa M ◽  
Khousikan K ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Alzheimer Disease ◽  
Medicinal Plants ◽  
Panax Ginseng ◽  
In Silico ◽  
Docking Analysis ◽  
In Silico Docking

Alzheimer's disease (AD) is the most common form of dementia and one of the leading causes of death. The Aim and objective of the present study is to perform in-silico docking analysis of the major active constituents identified in three Indian medicinal plants namely Convolvulus pluricaulis, Coriandrum sativum and Panax ginseng for its effectiveness against the targets of Alzheimer Disease. In-silico docking analysis was performed by Molegro Virtual Docker (MVD-2010, 4.2.0) and Schrodinger Mestro (V 11.8). In addition, Drug likeness property, pharmacokinetics (ADME) and safety profile prediction studies were performed to identify the best drug candidates using Qikpro and Toxicity Estimation Software Tool (T.E.S.T). The target for Alzheimer Disease is Acetylcholinesterase and Butyrylcholinesterase. The X-ray crystal co-ordinates of AChE (PDB ID: 4bdt) and BChE (PDB ID: 6eqq) obtained from the Protein Data Bank. The phytoconstituents of three medicinal plants were retrieved from PubChem compound database in mol format. The standard drugs Donepezil, Rivastigmine, Galantamine, Memantine was obtained from the drug bank in .mol format for comparison. It was analysed from the parameters of docking that the phytoconstituents from Panax ginseng showed better anti-Alzheimer activity compared to that of the standard drugs. Based on the research findings, further studies can be performed in in-vitro & in-vivo animal models of Alzheimer’s disease to establish the efficacy of promising phytoconstituents.

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