scholarly journals 4D-QSAR Molecular Modeling and Analysis of Flavonoid Derivatives as Acetylcholinesterase Inhibitors

2021 ◽  
Vol 44 (7) ◽  
pp. 999-1006
Author(s):  
Yanyu Wang ◽  
Yanping Zhao ◽  
Chaochun Wei ◽  
Nana Tian ◽  
Hong Yan
Keyword(s):  
Molecular Modeling ◽  
Acetylcholinesterase Inhibitors ◽  
Modeling And Analysis

MOLECULAR MODELING AND ANALYSIS OF KEY PROTEINS IN CYTOKININ MEDIATED LEAF SENESCENCE OF WHEAT

2017 ◽  
Vol 73 (9) ◽  
Author(s):  
Atul Kumar Upadhyay ◽  
Shashank Tripathi1 ◽  
M. Amin-ul Mannan ◽  
Yamini Deb ◽  
Rajkumar Katagi ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Leaf Senescence ◽  
Modeling And Analysis

Indolinone-based acetylcholinesterase inhibitors: Synthesis, biological activity and molecular modeling

2014 ◽  
Vol 84 ◽  
pp. 375-381 ◽  
Author(s):  
Hamidreza Akrami ◽  
Bibi Fatemeh Mirjalili ◽  
Mehdi Khoobi ◽  
Hamid Nadri ◽  
Alireza Moradi ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Modeling ◽  
Acetylcholinesterase Inhibitors

scholarly journals Molecular Modeling Studies of Piperidine Derivatives as New Acetylcholinesterase Inhibitors against Neurodegenerative Diseases

2013 ◽  
Vol 2013 ◽  
pp. 1-7 ◽  
Author(s):  
Elaine F. F. da Cunha ◽  
José E. Resende ◽  
Tanos C. C. Franca ◽  
Mateus Aquino Gonçalves ◽  
Felipe R. de Souza ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Modeling ◽  
Neurodegenerative Disorders ◽  
Acetylcholinesterase Inhibitors ◽  
Molecular Target ◽  
New Drugs ◽  
Ache Inhibitors ◽  
Progressive Loss ◽  
Molecular Modeling Studies ◽  
Dynamics Simulations

Neurodegenerative disorders are related to the progressive loss of structure or function and, eventually, death of neurons. These processes are responsible for diseases like Parkinson’s, Alzheimer’s, and Huntington’s, and the main molecular target for the drug design against these illnesses today is the enzyme acetylcholinesterase (AChE). Following this line, in the present work, we applied docking techniques to study some piperidine derivative inhibitors of AChE and further propose structures of six new AChE inhibitors as potential new drugs against neurodegenerative disorders. The best inhibitor proposed was submitted to additional molecular dynamics simulations steps.

Synthesis, biological activity and molecular modeling studies on 1H-benzimidazole derivatives as acetylcholinesterase inhibitors

2013 ◽  
Vol 21 (17) ◽  
pp. 4928-4937 ◽  
Author(s):  
Ayşe Selcen Alpan ◽  
Sülünay Parlar ◽  
Luca Carlino ◽  
Ayse Hande Tarikogullari ◽  
Vildan Alptüzün ◽  
...  
Keyword(s):  
Biological Activity ◽  
Molecular Modeling ◽  
Acetylcholinesterase Inhibitors ◽  
Benzimidazole Derivatives ◽  
Modeling Studies ◽  
Molecular Modeling Studies

Benzofurans fromStyrax agrestisAs Acetylcholinesterase Inhibitors: Structure–Activity Relationships and Molecular Modeling Studies

2011 ◽  
Vol 74 (10) ◽  
pp. 2081-2088 ◽  
Author(s):  
Jiawei Liu ◽  
Vincent Dumontet ◽  
Anne-Laure Simonin ◽  
Bogdan I. Iorga ◽  
Vincent Guerineau ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Acetylcholinesterase Inhibitors ◽  
Structure Activity Relationships ◽  
Structure Activity ◽  
Modeling Studies ◽  
Molecular Modeling Studies
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