P1-306: Design and synthesis of coumarin analogues as dual binding site acetylcholinesterase inhibitors

2015 ◽  
Vol 11 (7S_Part_10) ◽  
pp. P473-P474
Author(s):  
Shaffali Singla ◽  
Poonam Piplani
Keyword(s):  
Binding Site ◽  
Acetylcholinesterase Inhibitors ◽  
Design And Synthesis

Rational design and synthesis of dihydropyrimidine based dual binding site acetylcholinesterase inhibitors

2016 ◽  
Vol 69 ◽  
pp. 91-101 ◽  
Author(s):  
Sufyan Ahmad ◽  
Fatima Iftikhar ◽  
Farhat Ullah ◽  
Abdul Sadiq ◽  
Umer Rashid
Keyword(s):  
Binding Site ◽  
Rational Design ◽  
Acetylcholinesterase Inhibitors ◽  
Design And Synthesis

scholarly journals Dual Binding Site and Selective Acetylcholinesterase Inhibitors Derived from Integrated Pharmacophore Models and Sequential Virtual Screening

2014 ◽  
Vol 2014 ◽  
pp. 1-21 ◽  
Author(s):  
Shikhar Gupta ◽  
C. Gopi Mohan
Keyword(s):  
Molecular Docking ◽  
Binding Site ◽  
Enzyme Inhibitors ◽  
Acetylcholinesterase Inhibitors ◽  
Docking Study ◽  
Molecular Docking Study ◽  
Test Set ◽  
Zinc Database ◽  
Pharmacophore Hypotheses ◽  
Pharmacophore Models

In this study, we have employedin silicomethodology combining double pharmacophore based screening, molecular docking, and ADME/T filtering to identify dual binding site acetylcholinesterase inhibitors that can preferentially inhibit acetylcholinesterase and simultaneously inhibit the butyrylcholinesterase also but in the lesser extent than acetylcholinesterase. 3D-pharmacophore models of AChE and BuChE enzyme inhibitors have been developed from xanthostigmine derivatives through HypoGen and validated using test set, Fischer’s randomization technique. The best acetylcholinesterase and butyrylcholinesterase inhibitors pharmacophore hypotheses Hypo1_A and Hypo1_B, with high correlation coefficient of 0.96 and 0.94, respectively, were used as 3D query for screening the Zinc database. The screened hits were then subjected to the ADME/T and molecular docking study to prioritise the compounds. Finally, 18 compounds were identified as potential leads against AChE enzyme, showing good predicted activities and promising ADME/T properties.

Novel coumarin derivatives bearing N-benzyl pyridinium moiety: Potent and dual binding site acetylcholinesterase inhibitors

2012 ◽  
Vol 20 (24) ◽  
pp. 7214-7222 ◽  
Author(s):  
Masoumeh Alipour ◽  
Mehdi Khoobi ◽  
Alireza Foroumadi ◽  
Hamid Nadri ◽  
Alireza Moradi ◽  
...  
Keyword(s):  
Binding Site ◽  
Acetylcholinesterase Inhibitors ◽  
Coumarin Derivatives

scholarly journals Design and synthesis of new piperidone grafted acetylcholinesterase inhibitors

2017 ◽  
Vol 27 (2) ◽  
pp. 228-231 ◽  
Author(s):  
Alireza Basiri ◽  
Michelle Xiao ◽  
Alec McCarthy ◽  
Debashis Dutta ◽  
Siddappa N. Byrareddy ◽  
...  
Keyword(s):  
Acetylcholinesterase Inhibitors ◽  
Design And Synthesis

Structural Determinants of the Multifunctional Profile of Dual Binding Site Acetylcholinesterase Inhibitors as Anti-Alzheimer Agents

2010 ◽  
Vol 16 (25) ◽  
pp. 2818-2836 ◽  
Author(s):  
Carles Galdeano ◽  
Elisabet Viayna ◽  
Pau Arroyo ◽  
Axel Bidon-Chanal ◽  
J. Ramon Blas ◽  
...  
Keyword(s):  
Binding Site ◽  
Acetylcholinesterase Inhibitors ◽  
Structural Determinants

Drugs Against Neurodegenerative Diseases: Design and Synthesis of 6-Amino-substituted Imidazo[1,2-b]pyridazines as Acetylcholinesterase Inhibitors

2017 ◽  
Vol 2 (2) ◽  
pp. 842-847 ◽  
Author(s):  
P. Sridhar ◽  
Manikandan Alagumuthu ◽  
B. Ram ◽  
Sivakumar Arumugam ◽  
Sabbasani Rajasekhara Reddy
Keyword(s):  
Neurodegenerative Diseases ◽  
Acetylcholinesterase Inhibitors ◽  
Design And Synthesis

From Dual Binding Site Acetylcholinesterase Inhibitors to Multi-Target-Directed Ligands (MTDLs): A Step Forward in the Treatment of Alzheimers Disease

2008 ◽  
Vol 8 (10) ◽  
pp. 960-967 ◽  
Author(s):  
Maria Bolognesi ◽  
Anna Minarini ◽  
Michela Rosini ◽  
Vincenzo Tumiatti ◽  
Carlo Melchiorre
Keyword(s):  
Binding Site ◽  
Acetylcholinesterase Inhibitors ◽  
Alzheimers Disease
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