Destabilization of Alzheimer’s Aβ42 protofibrils with acyclovir, carmustine, curcumin, and tetracycline: Insights from molecular dynamics simulations

Amyloid Β ◽

Neural Tissue ◽

Amyloid Β Peptide ◽

Characteristic Symptom ◽

One of the most common dementia among neurodegenerative diseases is Alzheimer’s disease (AD). The characteristic symptom of AD is the deposition and aggregation of amyloid-β-peptide in the neural tissue. A...

Translational Bioinformatics and Its Application - Translational Medicine Research ◽

Recent Studies on Mechanisms of New Drug Candidates for Alzheimer’s Disease Interacting with Amyloid-β Protofibrils Using Molecular Dynamics Simulations

10.1007/978-94-024-1045-7_6 ◽

2017 ◽

pp. 135-151 ◽

Cited By ~ 2

Author(s):

Huai-Meng Fan ◽

Qin Xu ◽

Dong-Qing Wei

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Amyloid Β ◽

Drug Candidates ◽

New Drug ◽

A Boron-Containing Compound Acting on Multiple Targets Against Alzheimer’s Disease. Insights from Ab Initio and Molecular Dynamics Simulations

Journal of Chemical Information and Modeling ◽

10.1021/acs.jcim.1c00262 ◽

2021 ◽

Author(s):

Alessandra G. Ritacca ◽

Ida Ritacco ◽

Eslam Dabbish ◽

Nino Russo ◽

Gloria Mazzone ◽

...

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Ab Initio ◽

Multiple Targets ◽

Screening and identification of secondary metabolites in the bark of Bauhinia variegata to treat Alzheimer’s disease by using molecular docking and molecular dynamics simulations

10.1080/07391102.2020.1796798 ◽

2020 ◽

pp. 1-11

Author(s):

Noopur Khare ◽

Sanjiv Kumar Maheshwari ◽

Abhimanyu Kumar Jha

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Molecular Docking ◽

Secondary Metabolites ◽

Screening And Identification ◽

Bauhinia Variegata ◽

Impact of K16A and K28A mutation on the structure and dynamics of amyloid-β42 peptide in Alzheimer’s disease: key insights from molecular dynamics simulations

10.1080/07391102.2019.1586587 ◽

2019 ◽

Vol 38 (3) ◽

pp. 708-721 ◽

Cited By ~ 5

Author(s):

Suniba Shuaib ◽

Rajneet Kaur Saini ◽

Deepti Goyal ◽

Bhupesh Goyal

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Structure And Dynamics ◽

Amylin–Aβ oligomers at atomic resolution using molecular dynamics simulations: a link between Type 2 diabetes and Alzheimer's disease

Physical Chemistry Chemical Physics ◽

10.1039/c5cp03338a ◽

2016 ◽

Vol 18 (4) ◽

pp. 2330-2338 ◽

Cited By ~ 50

Author(s):

Michal Baram ◽

Yoav Atsmon-Raz ◽

Buyong Ma ◽

Ruth Nussinov ◽

Yifat Miller

Keyword(s):

Alzheimer’S Disease ◽

Type 2 Diabetes ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Single Layer ◽

Atomic Resolution ◽

Aβ Oligomers ◽

Aβ1–42 oligomers prefer to interact with Amylin1–37 oligomers to form single layer conformations.

Insights into the Interaction Mechanism of Ligands with Aβ42 Based on Molecular Dynamics Simulations and Mechanics: Implications of Role of Common Binding Site in Drug Design for Alzheimer's Disease

Chemical Biology & Drug Design ◽

10.1111/cbdd.12555 ◽

2015 ◽

Vol 86 (4) ◽

pp. 805-812 ◽

Cited By ~ 14

Author(s):

Harish S. Kundaikar ◽

Mariam S. Degani

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Drug Design ◽

Binding Site ◽

Interaction Mechanism ◽

Molecular Dynamics Simulations to Investigate the Structural Stability and Aggregation Behavior of the GGVVIA Oligomers Derived from Amyloid β Peptide

10.1080/07391102.2009.10507285 ◽

2009 ◽

Vol 26 (6) ◽

pp. 731-740 ◽

Cited By ~ 34

Author(s):

Liang-Kai Chang ◽

Jian-Hua Zhao ◽

Hsuan-Liang Liu ◽

Kung-Tien Liu ◽

Jenn-Tzong Chen ◽

...

Keyword(s):

Molecular Dynamics ◽

Structural Stability ◽

Amyloid Β ◽

Aggregation Behavior ◽

Amyloid Β Peptide ◽

Identification of potential PKC inhibitors through pharmacophore designing, 3D-QSAR and molecular dynamics simulations targeting Alzheimer’s disease

10.1080/07391102.2017.1406824 ◽

2017 ◽

Vol 36 (15) ◽

pp. 4029-4044 ◽

Cited By ~ 12

Author(s):

Saleem Iqbal ◽

Dhanabalan Anantha Krishnan ◽

Krishnasamy Gunasekaran

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

3D Qsar ◽

Pkc Inhibitors ◽

How L17A/F19A Double Mutation Diminish Aβ40 Aggregation in Alzheimer's Disease: Key Insights from Molecular Dynamics Simulations

Biophysical Journal ◽

10.1016/j.bpj.2019.11.2788 ◽

2020 ◽

Vol 118 (3) ◽

pp. 506a

Author(s):

Rajneet Kaur Saini

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Double Mutation ◽

Poly (n-butyl cyanoacrylate) as a nanocarrier for rivastigmine transport across the blood–brain barrier in Alzheimer’s disease treatment: a perspective from molecular dynamics simulations

Journal of Molecular Modeling ◽

10.1007/s00894-018-3799-0 ◽

2018 ◽

Vol 24 (9) ◽

Cited By ~ 2

Author(s):

Seyed Vahid Mousavi ◽

Seyed Majid Hashemianzadeh

Keyword(s):

Alzheimer’S Disease ◽

Alzheimer's Disease ◽

Molecular Dynamics ◽

Blood Brain Barrier ◽

Brain Barrier ◽

Disease Treatment ◽

Blood Brain ◽