Synthesis, Characterization, Molecular Docking Studies and Anticancer Activity of Schiff Bases Derived from 3-(Substituted phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde and 2-Aminophenol
| Autor: | Sachin S. Wazalwar, Anita R. Banpurkar, Franc Perdih |
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| Rok vydání: | 2018 |
| Předmět: |
0301 basic medicine
2-Aminophenol 010405 organic chemistry General Chemistry Crystal structure Pyrazole Condensed Matter Physics 01 natural sciences Combinatorial chemistry 0104 chemical sciences 03 medical and health sciences chemistry.chemical_compound Crystallography 030104 developmental biology chemistry Docking (molecular) Proton NMR Molecule Binding site Organometallic chemistry |
| Zdroj: | Journal of Chemical Crystallography. 48:185-199 |
| ISSN: | 1572-8854 1074-1542 |
| Popis: | A series of new Schiff bases were synthesized by microwave assisted reactions of substituted 1-phenyl-1H-pyrazole-4-carbaldehyde and 2-aminophenol in ethanol and characterized by elemental analysis and spectroscopic (IR, 1H NMR and MS) data. The crystal structures of four compounds were studied using single-crystal XRD data. Molecular docking studies of all synthesized compounds were performed into the binding site of a protein 3GCW to gain comprehensive understanding into possible binding modes. These compounds were also screened for anticancer activity against the liver (HEP-G2) cell line using the sulphorhodamine-B assay method. Adriamycin i.e. doxorubicin was used as reference standard. One of the compounds shows anticancer activity close to the famous anticancer agent doxorubicin, which was used as control in this study. It is observed that all molecules show activity close to the standard in high concentrations only. Present study describes the anticancer activity and crystal structure study of Schiff bases of substituted pyrazole-4-carbaldehyde with 2-aminophenol. Docking study of all compounds against human hepatoma cell line, HEP-G2 correlates with in vitro activity. |
| Databáze: | OpenAIRE |
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