A physicochemical descriptor based method for effective and rapid screening of dual inhibitors against BACE-1 and GSK-3β as targets for Alzheimer’s disease

2017 ◽  
Vol 71 ◽  
pp. 1-9 ◽  
Author(s):  
Akhil Kumar ◽  
Gaurava Srivastava ◽  
Ashok Sharma
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Rapid Screening ◽  
Dual Inhibitors ◽  
Gsk 3Β ◽  
Bace 1

Multitarget Drug Discovery for Alzheimer's Disease: Triazinones as BACE-1 and GSK-3β Inhibitors

2014 ◽  
Vol 54 (5) ◽  
pp. 1578-1582 ◽  
Author(s):  
Federica Prati ◽  
Angela De Simone ◽  
Paola Bisignano ◽  
Andrea Armirotti ◽  
Maria Summa ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Drug Discovery ◽  
Gsk 3Β ◽  
Bace 1

Dual BACE-1/GSK-3β Inhibitors to Combat Alzheimer's Disease: A Focused Review

2018 ◽  
Vol 17 (31) ◽  
pp. 3361-3369 ◽  
Author(s):  
Angela Rampa ◽  
Silvia Gobbi ◽  
Rita Maria Concetta Di Martino ◽  
Federica Belluti ◽  
Alessandra Bisi
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Gsk 3Β ◽  
Bace 1

Multitarget Drug Discovery for Alzheimer's Disease: Triazinones as BACE-1 and GSK-3β Inhibitors

2014 ◽  
Vol 127 (5) ◽  
pp. 1598-1602 ◽  
Author(s):  
Federica Prati ◽  
Angela De Simone ◽  
Paola Bisignano ◽  
Andrea Armirotti ◽  
Maria Summa ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Drug Discovery ◽  
Gsk 3Β ◽  
Bace 1

3,4-Dihydro-1,3,5-triazin-2(1H)-ones as the First Dual BACE-1/GSK-3β Fragment Hits against Alzheimer’s Disease

2015 ◽  
Vol 6 (10) ◽  
pp. 1665-1682 ◽  
Author(s):  
Federica Prati ◽  
Angela De Simone ◽  
Andrea Armirotti ◽  
Maria Summa ◽  
Daniela Pizzirani ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Gsk 3Β ◽  
Bace 1

Pharmacophore Modeling and Docking Studies to Investigate Potential Leads for the Development of β -Secretase APP Cleavage Enzyme-1 (BACE-1) Inhibitors

2019 ◽  
Vol 16 (7) ◽  
pp. 775-784
Author(s):  
Richa Arya ◽  
Satya Prakash Gupta ◽  
Sarvesh Paliwal ◽  
Swapnil Sharma ◽  
Kirtika Madan ◽  
...  
Keyword(s):  
Alzheimer’S Disease ◽  
Alzheimer's Disease ◽  
Medical Condition ◽  
Pharmacophore Model ◽  
Pharmacophore Modeling ◽  
Docking Studies ◽  
Pyridine Derivative ◽  
Cleavage Enzyme ◽  
Bace 1

Background: Alzheimer’s disease is a medical condition with detrimental brain health. It is majorly diagnosed in aging individuals plaque in β) characterized by accumulated Amyloidal beta (A 1 BACE) 1 secretase APP cleavage enzyme βneurological areas. The ) is the target of choice that can be exploited to find drugs against Alzheimer’s disease. Methods: A series of BACE-1 inhibitors with reported binding constant were considered for the development of a feature based pharmacophore model. Results: The good correlation coefficient (r=0.91) and RMSD of 0.93 was observed with 30 compounds in training set. The model was validated internally (r2test=0.76) as well as externally by Fischer validation. The pharmacophore based virtual screening retrieved compounds that were docked and biologically evaluated. Conclusion: The three structurally diverse molecules were tested by in-vitro method. The pyridine derivative with highest fit value (6.9) exhibited IC50 value of 2.70 µM and thus was found to be the most promising lead molecule as BACE-1 inhibitor.

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