研究目的
Investigating the synthesis, characterization, DNA interaction, and biological activities of novel palladium(II) complexes derived from substituted quinoline derivatives.
研究成果
The synthesized Pd(II) complexes exhibit strong DNA intercalative binding, high antibacterial activity, and significant cytotoxicity, comparable to cisplatin. Complexation enhances biological activities, and the complexes show potential as chemotherapeutic agents, but further studies are required for clinical applications.
研究不足
The study is limited to in vitro and simple in vivo models (brine shrimp and S. pombe), which may not fully represent human biological systems. Further tests on higher animal models and cancer cell lines are needed to confirm mechanisms and efficacy. The DNA binding and cleavage mechanisms are inferred from spectroscopic data and may require additional validation.
1:Experimental Design and Method Selection:
The study involved synthesizing ligands and Pd(II) complexes, characterizing them using spectroscopic and analytical techniques, and evaluating their DNA binding, antibacterial, and cytotoxic activities through various assays. Theoretical models like Stern–Volmer and Scatchard equations were used for data analysis.
2:Sample Selection and Data Sources:
Herring sperm DNA (HS DNA), pUC19 DNA, bacterial strains (Staphylococcus aureus, Bacillus subtilis, Serratia marcescens, Escherichia coli, Pseudomonas aeruginosa), Schizosaccharomyces pombe, and brine shrimp were used. Chemicals were purchased from Sigma Aldrich and other suppliers.
3:List of Experimental Equipment and Materials:
Equipment includes Bruker Avance NMR spectrometer, FT‐IR Shimadzu spectrophotometer, EURO EA3000 Elemental Analyser, ThermoScientific mass spectrophotometer, UV‐160A UV–vis spectrophotometer, Gouy's method for magnetic moments, SDT Q600 thermogravimetric analyzer, conductivity meter, Fluoromax‐4 spectrofluorometer, Ubbelohde viscometer, HEX 8.0 software for docking, and gel electrophoresis setup. Materials include Na2PdCl4, various acetyl thiophenes, acetanilide, POCl3, DMF, agarose, EB, etc.
4:0 software for docking, and gel electrophoresis setup. Materials include Na2PdCl4, various acetyl thiophenes, acetanilide, POCl3, DMF, agarose, EB, etc. Experimental Procedures and Operational Workflow:
4. Experimental Procedures and Operational Workflow: Synthesis of ligands and complexes, characterization (NMR, IR, elemental analysis, mass spectrometry, UV–vis, conductance, TGA), DNA binding studies (absorption and fluorescence titration, viscosity measurements), molecular docking, gel electrophoresis for DNA cleavage, antibacterial assays (broth dilution method), cytotoxicity tests (brine shrimp lethality and S. pombe staining).
5:Data Analysis Methods:
Data were analyzed using linear Stern–Volmer and Scatchard plots for binding constants, van 't Hoff equation for thermodynamic parameters, and statistical methods for cytotoxicity and antibacterial activities. Software like HEX 8.0 and Discovery Studio were used for docking studies.
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Bruker Avance
400 MHz for 1H NMR, 100 MHz for 13C NMR
Bruker
Recording NMR spectra for characterization of compounds.
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UV‐160A UV–vis spectrophotometer
UV‐160A
Shimadzu
Recording electronic spectra.
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FT‐IR Shimadzu spectrophotometer
Not specified
Shimadzu
Recording IR spectra in the range 4000–400 cm?1 using KBr pellets.
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EURO EA3000 Elemental Analyser
EA3000
EURO
Performing elemental analysis for C, H, and N.
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ThermoScientific mass spectrophotometer
Not specified
ThermoScientific
Recording LC–MS spectra.
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SDT Q600 thermogravimetric analyzer
Q600 V20.9 Build 20
Not specified
Recording thermograms for thermal analysis.
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Conductivity meter
E‐660A
Not specified
Measuring conductance of solutions.
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Fluoromax‐4 spectrofluorometer
Fluoromax‐4
Horiba
Performing fluorescence measurements, including ethidium bromide displacement experiments.
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Ubbelohde viscometer
Not specified
Not specified
Measuring viscosity of DNA solutions.
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HEX 8.0 software
8.0
Not specified
Performing molecular docking studies.
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Discovery Studio 3.5 software
3.5
Not specified
Visualizing docked positions in molecular graphics.
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Gaussian 09 program package
09
Gaussian
Optimizing structures using quantum mechanics for docking studies.
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AlphaDigiDoc? RT v.4.0.0 PC‐Image software
v.4.0.0
AlphaDigiDoc
Photoquantization of gels after electrophoresis.
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Laminar air flow cabinet
Not specified
Toshiba
Used for antibacterial studies.
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