Inhibition of β-Amyloid Channels with a Drug Candidate wgx-50 Revealed by Molecular Dynamics Simulations

2017 ◽  
Vol 57 (11) ◽  
pp. 2811-2821 ◽  
Author(s):  
Shuang Hou ◽  
Ruo-Xu Gu ◽  
Dong-Qing Wei
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Drug Candidate ◽  
Β Amyloid ◽  
Dynamics Simulations

Behavior of β-Amyloid 1−16 at the Air−Water Interface at Varying pH by Nonlinear Spectroscopy and Molecular Dynamics Simulations

2011 ◽  
Vol 115 (23) ◽  
pp. 5873-5880 ◽  
Author(s):  
Abigail E. Miller ◽  
Poul B. Petersen ◽  
Christopher W. Hollars ◽  
Richard J. Saykally ◽  
Jan Heyda ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Nonlinear Spectroscopy ◽  
Water Interface ◽  
Air Water Interface ◽  
Β Amyloid ◽  
Dynamics Simulations

scholarly journals 2-Aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones as inhibitors of cholinesterases and self-induced β-amyloid (Aβ) aggregation: biological evaluations and mechanistic insights from molecular dynamics simulations

RSC Advances ◽  
2018 ◽  
Vol 8 (14) ◽  
pp. 7818-7831 ◽  
Author(s):  
Sri Devi Sukumaran ◽  
Fadhil Lafta Faraj ◽  
Vannajan Sanghiran Lee ◽  
Rozana Othman ◽  
Michael J. C. Buckle
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Aβ Aggregation ◽  
Amyloid Aβ ◽  
Β Amyloid ◽  
Dynamics Simulations

A series of 2-aryl-3-(arylideneamino)-1,2-dihydroquinazoline-4(3H)-ones were evaluated as inhibitors of acetylcholinesterase (AChE), butyrylcholinesterase (BuChE) and self-induced β-amyloid (Aβ) aggregation.

Destabilization of Alzheimer’s Aβ42 Protofibrils with a Novel Drug Candidate wgx-50 by Molecular Dynamics Simulations

2015 ◽  
Vol 119 (34) ◽  
pp. 11196-11202 ◽  
Author(s):  
Huai-Meng Fan ◽  
Ruo-Xu Gu ◽  
Yan-Jing Wang ◽  
Yun-Long Pi ◽  
Yong-Hong Zhang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Drug Candidate ◽  
Dynamics Simulations ◽  
Novel Drug

scholarly journals Molecular Dynamics Simulations of Alzheimer's β-Amyloid Protofilaments

2005 ◽  
Vol 353 (4) ◽  
pp. 804-821 ◽  
Author(s):  
Nicolae-Viorel Buchete ◽  
Robert Tycko ◽  
Gerhard Hummer
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Β Amyloid ◽  
Dynamics Simulations

scholarly journals Effects of Point Substitutions on the Structure of Toxic Alzheimer’s β-Amyloid Channels: Atomic Force Microscopy and Molecular Dynamics Simulations

Biochemistry ◽  
2012 ◽  
Vol 51 (14) ◽  
pp. 3031-3038 ◽  
Author(s):  
Laura Connelly ◽  
Hyunbum Jang ◽  
Fernando Teran Arce ◽  
Srinivasan Ramachandran ◽  
Bruce L. Kagan ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Atomic Force Microscopy ◽  
Molecular Dynamics Simulations ◽  
Force Microscopy ◽  
Atomic Force ◽  
Β Amyloid ◽  
Dynamics Simulations
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