Design, synthesis, and molecular docking study of some 2-((7-chloroquinolin-4-yl) amino) benzohydrazide Schiff bases as potential Eg5 inhibitory agents
| Autor: | Preeti S. Salve, Rohini S. Kavalapure, Shriram D. Ranade, Dhanashree Patil, Shankar G. Alegaon, A. Soundarya Priya, Sanjay Mishra, Sunil Jalalpure, Pukar Khanal, U. Venkatasubramanian |
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| Rok vydání: | 2021 |
| Předmět: |
Kinesins
Biochemistry Antioxidants Cell Line Mice Structure-Activity Relationship chemistry.chemical_compound Picrates Drug Discovery Animals Humans Molecule Binding site Molecular Biology IC50 Schiff Bases Cell Proliferation Schiff base Dose-Response Relationship Drug Molecular Structure Chemistry Biphenyl Compounds Organic Chemistry Hydrazones Carbon-13 NMR Combinatorial chemistry In vitro Molecular Docking Simulation Drug Design Proton NMR Steady state (chemistry) |
| Zdroj: | Bioorganic Chemistry. 116:105381 |
| ISSN: | 0045-2068 |
| Popis: | In Search of new microtubule-targeting compounds and to identify a promising Eg5 inhibitory agents, a series of 2-((7-chloroquinolin-4-yl) amino) benzohydrazide Schiff bases molecules (6 a-r) were synthesized using appropriate synthetic method. The synthesized compounds were characterized by using FTIR, Proton NMR, Carbon NMR and mass spectral analysis. All eighteen compounds were evaluated for their Eg5 inhibitory activity. Among the evaluated compounds, only seven compounds are shown inhibitory activity. The results of Steady state ATPase reveled that compounds 6b, 6l and 6p exhibited promising inhibitory activity with IC50 Values of 2.720 ± 0.69, 2.676 ± 0.53 and 2.408 ± 0.46 respectively. Malachite Green Assay results reveled that 6q compound showed better inhibitory activity with IC50 Value of 0.095 ± 0.27. In vitro antioxidant capacity of the synthesized compounds was investigated. A molecular docking studies were performed to evaluate interaction in to binding site of kinesin spindle protein, these interaction influencing may support Eg5 inhibitory activity. The drug like parameters of the eighteen synthesized compounds were also computed using Qikprop software. In conclusion, some of 2-((7-chloroquinolin-4-yl) amino) benzohydrazide Schiff base compounds represent promising drug like agents for discovery of effective anticancer molecules. |
| Databáze: | OpenAIRE |
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