Synthesis, biological evaluation and molecular docking of ...
of Alzheimer's Disease Synthesis, Molecular Docking, and … · 2019. 5. 9. · 1 Synthesis,...
Transcript of of Alzheimer's Disease Synthesis, Molecular Docking, and … · 2019. 5. 9. · 1 Synthesis,...
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Synthesis, Molecular Docking, and Biological Evaluation of Novel 2-Pyrazoline Derivatives as Multifunctional Agents for the Treatment
of Alzheimer's Disease
Oya Unsal-Tana*, Tuba Tüylü Küçükkılınçb, Beyza Ayazgökb, Ayla Balkana, Keriman Ozadali-Saria
a Hacettepe University, Faculty of Pharmacy, Department of Pharmaceutical Chemistry, Ankara, TURKEY. b Hacettepe University, Faculty of Pharmacy, Department of Biochemistry, Ankara, TURKEY.
Dr. Oya Unsal [email protected]
SUPPORTING FILE
1) IR, ESI-MS, 1H and 13C- NMR SPECTRA OF THE COMPOUNDS (p 2-43)2) DOSE-RESPONSE CURVES OF 3F AND 3G (p 44-45)3) INHIBITION OF SELF-MEDIATED Aβ1–42 AGGREGATION at 10 μM (p 46)
Electronic Supplementary Material (ESI) for MedChemComm.This journal is © The Royal Society of Chemistry 2019
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1) IR, ESI-MS, 1H and 13C- NMR SPECTRA OF THE COMPOUNDS
1-(5-(4-(1H-1,2,4-Triazol-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3a)
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1-(5-(4-(1H-Imidazol-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3b)
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1-(5-(4-(1H-Benzo[d]imidazol-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3c)
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1-(5-(4-(4-Benzylpiperazin-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3d)
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1-(5-(4-(4-Benzylpiperidin-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3e)
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1-(5-(4-(4-Methylpiperazin-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3f)
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1-(5-(4-(4-Ethylpiperazin-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3g)
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1-(5-(4-(4-methylpiperidin-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3h)
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1-(5-(4-(4-Phenylpiperazin-1-yl)phenyl)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3i)
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1-(5-(4-(4-Benzylpiperazin-1-yl)phenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3j)
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1-(5-(4-(4-Ethylpiperazin-1-yl)phenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone (3k)
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2) DOSE-RESPONSE CURVES OF 3F AND 3G
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3) INHIBITION OF SELF-MEDIATED Aβ1–42 AGGREGATION at 10 μM
Table S1. In vitro effects on self-mediated Aβ1–42 aggregation at 10 μM
CompoundAβ1–42
aggregation(%)±SEM
3d 93.00±2.963e 82.21±6.69*3f 88.04±9.693g 91.42±4.013h 80.58±1.70**
Controla 100Donepezil 64.75±1.63***
a) For each assay, the control was a non-treated sample. * p < 0.05, ** p < 0.01, *** p < 0.001