3-(3,4-Dimethoxyphenyl)-5-(2-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
Abstract
:1. Introduction
2. Results and Discussion
2.1. Synthesis of Compound 1
2.2. In Silico Studies of Compound 1
3. Materials and Methods
3.1. General Information
3.2. Synthesis of 3-(3,4-dimethoxyphenyl)-5-(2-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole (1)
3.3. Molecular Docking Study and Molecular Dynamic Simulation
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Acknowledgments
Conflicts of Interest
References
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Molecules | Estimated Binding Free Energy (kcal/mol) | Interactions | ||
---|---|---|---|---|
Hydrogen Bonds | Van der Waals | Hydrophobic | ||
Compound 1 | −59.98 | His51, Arg74 | Asp75 | His51, Arg74 |
Panduratin A | −57.80 a | His51, Gly153 | Gly51 | - |
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Zamri, A.; Teruna, H.Y.; Wulansari, S.; Herfindo, N.; Frimayanti, N.; Ikhtiarudin, I. 3-(3,4-Dimethoxyphenyl)-5-(2-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole. Molbank 2019, 2019, M1088. https://doi.org/10.3390/M1088
Zamri A, Teruna HY, Wulansari S, Herfindo N, Frimayanti N, Ikhtiarudin I. 3-(3,4-Dimethoxyphenyl)-5-(2-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole. Molbank. 2019; 2019(4):M1088. https://doi.org/10.3390/M1088
Chicago/Turabian StyleZamri, Adel, Hilwan Y. Teruna, Sri Wulansari, Noval Herfindo, Neni Frimayanti, and Ihsan Ikhtiarudin. 2019. "3-(3,4-Dimethoxyphenyl)-5-(2-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazole" Molbank 2019, no. 4: M1088. https://doi.org/10.3390/M1088