RESUMEN
In this work, a simple, efficient and eco-friendly green synthesis of manganese dioxide nanoparticles (MnO2NPs) by Psidium guajava leaf extract was described. Fourier-Transform infrared spectra results revealed that involvement of the plant extract functional groups in the formation of MnO2NPs. The UV-vis absorption spectra of the synthesized MnO2NPs exhibited absorption peaks at 374 nm, which were attributed to the band gap of the MnO2NPs. Crystal phase identification of the MnO2NPs were characterized by X-ray diffraction analysis and the formation of crystalline MnO2NPs have been confirmed. Furthermore, scanning electron microscopy analysis showed that the synthesized MnO2NPs have a spherical in shape. Interestingly, the prepared green synthesized MnO2NPs showed catalytic degradation activity for malachite green dye. Malachite green's photocatalytic degradation was detected spectrophotometrically in the wavelength range of 250-900 nm, and it was discovered to have a photodegradation efficiency of 75.5 % within 90 min when exposed to solar radiation. Green synthesized MnO2NPs are responsible for this higher activity. An interaction between synthesized NPs and biomolecules, including CT-DNA and BSA was also evaluated. The spectrophotometric and Fluoro spectroscopic analyses indicate a gradual reduction in peak intensities and shifts in wavelengths, indicating binding and affinity between the NPs and the biomolecules.
Asunto(s)
Nanopartículas del Metal , Psidium , Colorantes de Rosanilina , Nanopartículas del Metal/química , Compuestos de Manganeso , Óxidos , Difracción de Rayos X , Extractos Vegetales/química , Espectroscopía Infrarroja por Transformada de FourierRESUMEN
New metal(II) complexes (CuL2 and ZnL2) with pyrimidine appended Schiff base ligand (HL) were synthesized and characterized by diverse spectroscopic methods, reveals the proposed structure of metal(II) complexes possess square planar geometry. DNA interaction ability of isolated compounds was studied by UV-Visible, fluorescence, viscometric and electrochemical methods and the results showed that isolated compounds intercalated with calf thymus DNA (CT-DNA). In addition, anticancer activities of HL, CuL2, and ZnL2 have been evaluated by MTT assay, signifying moderate cytotoxic activity on selected cancer cell lines and less toxicity on NHDF normal cell line due to the specific targeting of pyrimidine analogues. Moreover, antioxidant activities of isolated compounds towards diverse free radicals have been studied by spectrophotometric methods. These results showed that CuL2 has better antioxidant ability than HL and ZnL2. Finally, antimicrobial activities of isolated compounds against selected antimicrobial pathogens exposed that CuL2 has better antimicrobial activity on E. coli and C. albicans than other antimicrobial pathogens. The DFT calculations have been done to get the optimized geometry of the ligand and the metal complexes. In order to get a broad understanding of the interactions of these synthesized metal complexes, a detailed molecular docking analysis is taken up.
Asunto(s)
Antiinfecciosos , Complejos de Coordinación , Complejos de Coordinación/farmacología , Complejos de Coordinación/química , Antioxidantes/farmacología , Antioxidantes/química , Ligandos , Simulación del Acoplamiento Molecular , Escherichia coli/metabolismo , Antiinfecciosos/farmacología , Antiinfecciosos/química , ADN/química , Zinc/química , Pirimidinas/farmacología , Pirimidinas/química , Bases de Schiff/química , Cobre/químicaRESUMEN
The objective of this research was to create stable nickel nanoparticles using nickel chloride salt and a Schiff base ligand called DPMN. The synthesis process involved a two-step phase transfer procedure. Spectroscopic techniques such as UV-Visible and FT-IR were used to confirm the formation of ligand-stabilized nickel nanoparticles (DPMN-NiNPs). To analyze the size, surface morphology, and quality of DPMN-NiNPs, SEM and TEM techniques were utilized. In vitro studies were performed to investigate the potential anticancer activity of the synthesized compounds against three different cancer cell lines and one normal cell line, and the results were compared to those of cis-platin. The researchers also conducted tests to determine the ability of DPMN-NiNPs to bind to CT-DNA using various techniques such as electronic absorption, fluorescence, viscometric, and cyclic voltammetric. The results showed that the synthesized DPMN-NiNPs exhibited good DNA binding ability, which was further validated by denaturation of DNA using thermal and sonochemical methods. The researchers also investigated the antimicrobial and antioxidant activities of DPMN-NiNPs, which demonstrated better biological activities than DPMN alone. Furthermore, the synthesized nano compounds were found to selectively damage cancer cell lines without harming normal cell lines. Finally, the researchers examined the potential of DPMN-NiNPs as a catalyst in dye degradation by testing its ability to decompose methyl red dye using UV-Visible spectroscopy.Communicated by Ramaswamy H. Sarma.
Bioactive organic Schiff-base ligand having head group and tail group was synthesizedHead group interacted and stabilized the nickel nanoparticlesAverage size of the Ni nanoparticles is 45 nmSolid and stable nickel nanoparticles were prepared.Nickel nanoparticles have good biological properties as well as catalytical properties.
RESUMEN
A new pyrimidine derivative Schiff base (HL) [HL = 2-((4-amino-6-chloropyrimidin-2-ylimino)methyl)-4-nitrophenol] has been synthesized using 2,6-diamino-4-chloropyrimidine and 5-nitrosalicylaldehyde. Transition metal complexes of Cu(II) and Zn(II) complexes [CuL(OAc)] (1), [ZnL(OAc)] (2) are prepared with HL/metal(II) acetate with molar ratio of 1:1. The Schiff base (HL) and the complexes 1 and 2 are evaluated by UV-Visible, 1H-NMR, FT-IR, EI-MS and ESR spectral techniques. Complexes 1 and 2 are confirmed as square planar geometry. Electrochemical studies of the complexes 1 and 2 are used to analyse the quasi reversible process. Density Functional Theory (DFT) using the B3LYP/6-31++G(d,p) level basis set was used to get the optimised geometry and non-linear optical properties. The complexes 1 and 2 are good antimicrobial agents than Schiff base (HL). The interactions of the HL and complexes 1 and 2 with Calf Thymus (CT) DNA are investigated by electronic absorption methods and viscosity measurements. Various molecular spectroscopy techniques, such as UV absorption and fluorescence, were used to explore the mechanism of interaction between the BSA and the ligand HL and complexes 1 & 2 under physiological settings. Complexes 1 and 2 are act as potential antioxidants than free Schiff base (HL) by DPPH radical scavenging assay. Furthermore, the purpose of the molecular docking studies was to better understand how metal complexes interact with biomolecules (CT-DNA and BSA). From these biological analyses, complex 1 acts as good intercalator with CT DNA & BSA and potent antioxidant with DPPH radical than complex 2.Communicated by Ramaswamy H. Sarma.
Asunto(s)
Antiinfecciosos , Complejos de Coordinación , Teoría Funcional de la Densidad , Antioxidantes/farmacología , Antioxidantes/química , Simulación del Acoplamiento Molecular , Espectroscopía Infrarroja por Transformada de Fourier , Complejos de Coordinación/farmacología , Complejos de Coordinación/química , Bases de Schiff/química , Cobre/química , ADN/química , Zinc/química , Pirimidinas/farmacología , Pirimidinas/química , LigandosRESUMEN
The oxovanadium(IV) Schiff base metal complex (ISNPV) have been synthesized as well as characterized by using micro analytical and traditional spectroscopic techniques. The spectral findings were utilized to validate the formation of ISNPV with structure exhibited square pyramidal geometry. The in vitro antibacterial activities of ISNPV were investigated to five different bacterial stains such as S. aureus, S. epidermidis, B. cereus, B. amyloliquefaciens and B. subtilis. The obtained result have suggested that the ISNPV has highest antibacterial activity against S. aureus than the other bacterial stains. The in vitro antioxidant activity like DPPH free radical scavenging assay method was studied by ISNPV in DMSO medium. Because it scavenges all free radicals, the ISNPV possesses higher antioxidant activity than the free ligand. UV-visible absorption and emission spectral techniques were used to investigate the binding of CT-DNA to the ISNPV. Both the spectral data indicate that the ISNPV binds the double helix structure of CT-DNA via an intercalation mode. Additionally, investigate the interactions of ISNPV with the protein molecules like BSA/HAS has been investigated using absorption and emission techniques. The absorption intensity of metal complex increases as well as the emission intensity of protein molecules ability decreases due to the binding nature of ISNPV with BSA/HSA protein molecules. The binding nature of ISNPV with bio molecules such as CT-DNA, BSA and HSA was also validated using molecular docking approach.
Asunto(s)
Antioxidantes , Complejos de Coordinación , Antioxidantes/farmacología , Antioxidantes/química , Simulación del Acoplamiento Molecular , Bases de Schiff/farmacología , Bases de Schiff/química , Staphylococcus aureus , Complejos de Coordinación/farmacología , Complejos de Coordinación/química , Antibacterianos/farmacología , Antibacterianos/química , ADN/química , Bacterias/metabolismo , LigandosRESUMEN
Copper(II) and zinc(II) complexes of the type [ML(AcO)2.H2O] were synthesized from bidentate-morpholine based Schiff base ligand (L - morpholinopropylimino)methyl)-6-methoxyphenol). The prepared ligand, copper(II) and zinc(II) complexes were characterized by elemental analysis, ESI-MS, 1H-NMR, FT-IR, UV-Visible, ESR and spectrometric methods. The elemental and ESI-MS results have been established that the prepared ligand and complexes possess 1:1 stoichiometric ratio. 1H-NMR and FT-IR results have been suggested that azomethine nitrogen and morpholine ring nitrogen atoms are coordinated with Cu(II) and Zn(II) metal ions. UV-Visible, ESI-MS and ESR spectroscopic results have been supported that the proposed structure of Cu(II) and Zn(II) complexes possess square pyramidal geometry. In order to confirm the proposed square pyramidal geometry of prepared complexes by DFT calculation has been studied. DNA binding ability of Cu(II) and Zn(II) complexes have been studied by electronic absorption and viscometric methods. These results reveal that Cu(II) and Zn(II) complexes interact with CT-DNA by the way of groove binding mode. Molecular docking studies result shows that synthesized compounds has better binding ability. The in vitro antioxidant activities of ligand, Cu(II) and Zn(II) complexes have been investigated by using the DPPH assay. The result shows that synthesized compounds have good radical scavenging activity against DPPH radical. Antimicrobial activities of synthesized ligand and its complexes have been tested against selected bacterial (gram positive & gram negative) and fungal species. The results reveal that Cu(II) and Zn(II) have good antimicrobial activity than ligand.Communicated by Ramaswamy H. Sarma.
Asunto(s)
Complejos de Coordinación , Complejos de Coordinación/química , Cobre/química , Teoría Funcional de la Densidad , Ligandos , Simulación del Acoplamiento Molecular , Morfolinas/farmacología , Bases de Schiff/química , Espectroscopía Infrarroja por Transformada de Fourier , Agua , Zinc/químicaRESUMEN
A feasibly constructed novel pyridine based receptor (S) has been reported for the selective detection of copper ion over other metal ions. The metal sensing ability of receptor with diverse metal ions were studied by colorimetry, absorption and emission spectroscopic systems in CH3CN/H2O (7:3, v/v). This receptor reveals a drastic color converts from vapid to yellow and cyan under normal light and UV light with copper ion. Further, S-Cu2+ complex exhibits new UV-Visible band at 419 nm and intense fluorescence band at 494 nm upon the excitation at 388 nm. The stoichiometric binding ratio of receptor with metal ion was confirmed with Job's method and ESI-Mass also further supported the complexation. Besides, limits of detection of Cu2+ were calculated to be 0.25 µM. The limiting capacity of receptor with Cu2+ ion was additionally explored by quantum chemical calculation. Moreover, this receptor was effectively utilized for the measurement of Cu2+ ion in various water tests.
Asunto(s)
Cobre , Colorantes Fluorescentes , Iones , Piridinas , Espectrometría de FluorescenciaRESUMEN
A new octahedral platinum complex [PtLCl4] of Schiff base ligand containing pyrimidine and morpholine skeleton (where, L is 4,6-dichloropyrimidin-5-yl)methylene)-2-morpholinoethanamine) was isolated and characterized by elemental analysis, 1H-NMR, FTIR, UV-visible and ESI-MS techniques. DNA interaction of isolated compounds with calf thymus (CT-DNA) was explored by UV-vis absorption, fluorescence, cyclic voltametric and viscometric methods. The result shows that prepared compounds can interact with CT-DNA through electrostatic interactions. Bovine serum album (BSA) binding behavior of isolated compounds was also studied by UV-vis absorption and fluorescence techniques. Both the spectroscopic results suggest that the isolated ligand and its complex bind with BSA through static quenching. The optimized structure of ligand and platinum complex were achieved by the DFT calculations. Moreover, molecular docking of ligand and its complex were studied. These analysis results reveal that ligand has low binding affinity on DNA and BSA molecules in contrast to its complex. In vitro anticancer activity of isolated compounds toward normal cell line (NHDF) as well as cancer cell lines (MCF-7, HepG2, HeLa and A549) was studied by MTT assay. The results supports that isolated platinum complex can control the growth of cancer cells (MCF-7, 20.12 ± 1.00 µg/mL; HepG2, 32.2 ± 1.69 µg/mL; HeLa, 24.68 ± 1.29 µg/mL; A549, 23.46 ± 1.17 µg/mL) without inhibiting the normal cell line (NHDF, 109.26 ± 5.46 µg/mL). Antioxidant and antimicrobial activities of isolated compounds indicate that ligand and Pt complex are found to have good radical scavenging against four different free radicals and antimicrobial abilities on E. coli and C. albicans antimicrobial species. HighlightsPlatinum complex of Schiff base with pyrimidine and morpholine linkage was synthesized.Pt complex has better biomolecular interaction with DNA and BSA.Molecular docking of Pt complex with DNA and BSA has been studiedPt complex has good anticancer activities.Pt complex has better antioxidant and antimicrobial activities.
Asunto(s)
Antiinfecciosos , Antineoplásicos , Antiinfecciosos/química , Antiinfecciosos/farmacología , Antineoplásicos/química , Antineoplásicos/farmacología , Antioxidantes/química , ADN/química , Escherichia coli/metabolismo , Células HeLa , Humanos , Ligandos , Simulación del Acoplamiento Molecular , Morfolinas , Compuestos Organoplatinos/química , Compuestos Organoplatinos/farmacología , Pirimidinas/química , Pirimidinas/farmacología , Bases de Schiff/química , Bases de Schiff/farmacología , Albúmina Sérica Bovina/químicaRESUMEN
In this work, interactions of pyrimidine derivative Schiff base ligand (DMPMM) were studied and its stabilized powder nickel nanoparticles (DMPMM-NiNPs) were synthesized and various biological studies were evaluated. DNA binding studies of CT-DNA with prepared compounds in Tris-HCl/NaCl buffer were carried out by traditional UV-Visible and fluorescence spectroscopic methods, viscosity measurements and cyclic voltammetry. Results showed that the small scale of DMPMM had less activity to interact with biological systems and when it assembled on nickel nanoparticles surface the activity increased. Thermal denaturation and sonochemical denaturation studies of DNA with the presence and the absence of our compounds also were done by UV-Visible spectroscopic method and its results indicated that the synthesized compounds increased the denaturation temperature. BSA binding studies of synthesized compounds were done by UV-Visible and fluorescence spectroscopy. Molecular docking of prepared ligand and its nanoparticles with biomolecules (DNA and BSA) were studied. Antimicrobial studies of the DMPMM and DMPMM-NiNPs were carried out by Agar-Agar well diffusion method. Anticancer studies results evidenced that the synthesized DMPMM-NiNPs had good selectivity to control the growth of cancer cells without damaging the normal cells. Various antioxidant scavenging studies results have shown that DMPMM and DMPMM-NiNPs have significant antioxidant activity. HighlightsStable and solid nickel nanoparticles were prepared.The size of the prepared nickel nanoparticles was nearly 3 to 8 nm.Organic ligand capped nickel nanoparticles interacted with DNA and BSA.Ni nanoparticles increased the denaturation temperature of DNA.It was found to have good anticancer activity with fewer side effects than cisplatin.Communicated by Ramaswamy H. Sarma.
Asunto(s)
Antineoplásicos , Complejos de Coordinación , Nanopartículas , Bases de Schiff/farmacología , Bases de Schiff/química , Níquel/química , Simulación del Acoplamiento Molecular , Antioxidantes/farmacología , Antioxidantes/química , Ligandos , Agar , Antineoplásicos/farmacología , Antineoplásicos/química , ADN/química , Pirimidinas/farmacología , Pirimidinas/química , Nanopartículas/química , Complejos de Coordinación/químicaRESUMEN
New monometallic platinum complex ([PtL2Cl2]Cl2) of pyrimidine and morpholine derivative ligand were synthesized and structurally elucidated by elemental analysis, molar conductance, 1H NMR, FT-IR, ESI-MS and UV-Visible spectroscopic techniques. Analytical and spectroscopic result suggests that platinum complex has octahedral geometry. In order to understand the molecular geometry and absorption spectra of the ligand and platinum complex, DFT and TDDFT calculations have been carried out. Catalytic reduction of platinum complex with p-nitrophenol (p-NP) was carried out by the spectrophotometric method. In vitro anticancer activity of ligand and platinum complex on human cancer cell lines (MCF-7, HepG2, HeLa and A549) as well as normal cell (NHDF) line was done by MTT assay. This result reveals that platinum complex has enhanced anticancer against MCF-7 (19.13 ± 0.96 µg/mL) cell line than HepG2 (32.82 ± 1.64 µg/mL), HeLa (29.2 ± 1.46 µg/mL) and A549 (34.21 ± 1.71, µg/mL) cell lines as compared to ligand. Antioxidant activity results sustained that platinum complex has better radical scavenging ability than ligand. Platinum complex has better antimicrobial activity toward E. coli bacteria and C. albicans fungi than other antimicrobial pathogens. DNA binding affinities of the ligand and platinum complex have been assessed by probing their ability to bind to calf thymus DNA (CT-DNA) with UV-Visible, fluorescence, viscometric measurements and cyclic voltammetric techniques. These results proved that ligand and platinum bind to CT-DNA by intercalative binding mode. Molecular docking analysis reveals that the platinum complex tends to show good binding affinity toward both DNA and BSA than ligand.
Asunto(s)
Antiinfecciosos , Antineoplásicos , Antiinfecciosos/farmacología , Antineoplásicos/farmacología , Antioxidantes/farmacología , ADN , Escherichia coli , Humanos , Ligandos , Pruebas de Sensibilidad Microbiana , Simulación del Acoplamiento Molecular , Morfolinas , Platino (Metal) , Pirimidinas , Espectroscopía Infrarroja por Transformada de FourierRESUMEN
A new series of bio active Cu(II) and Zn(II) complexes [CuL(phen)](OOCCH3) (1), [ZnL(phen)](OOCCH3) (2), [CuL(bpy)](OOCCH3) (3), [ZnL(bpy)](OOCCH3) (4) have been synthesized using the pyrimidine derivative Schiff base (HL) [HL = 2-(4,6-dimethylpyrimidin-2-ylimino)methyl)-4-nitrophenol], 1,10-phenanthroline (phen), 2,2'-bipyridine (bpy) and acetate salts of Cu(II) and Zn(II). UV-Visible, FT-IR, 1H-NMR, ESR, elemental analysis, molar conductance and EI-MS spectral techniques have been used to endorse the square planar geometry for the complexes 1-4. The optimized molecular structure and the harmonic vibrational frequencies have been scrutinized by DFT methods. The antibacterial and antifungal activity of Schiff base (HL) and complexes 1-4 indicates that complex 1 acts as good antimicrobial agent against microbial strains than HL, complexes 2-4 and standard drugs streptomycin and nystatin. DNA cleavage study of the complexes 1-4 exposes that complexes 1 and 3 spectacle good cleaving agent than complexes 2 and 4. The interaction of complexes 1-4 with CT DNA using absorption, emission and viscometric measurements signifies that complexes 1-4 bind via an intercalation mode. The highest binding constants (Kb) for the complex 1 is confirmed as 7.83 × 103 M-1 and 2.98 × 104 M-1 by absorption and emission spectrum respectively. These experimental observations were found to be close to the theoretical observations investigated by the molecular docking technique. Antioxidant property of the complexes 1-4 using DPPH assay clinches that complex 1 produces significant scavenging effect than other compounds. The result of in vitro cytotoxicity of the Schiff base (HL) and complexes 1-4 shows that complex 1 shows better ability to inhibit the growth of cancer cells. Communicated by Ramaswamy H. Sarma.
Asunto(s)
Antiinfecciosos , Complejos de Coordinación , Antibacterianos/farmacología , Antiinfecciosos/farmacología , Antioxidantes/farmacología , Complejos de Coordinación/farmacología , Cobre , ADN , Teoría Funcional de la Densidad , Ligandos , Simulación del Acoplamiento Molecular , Pirimidinas , Bases de Schiff , Espectroscopía Infrarroja por Transformada de Fourier , ZincRESUMEN
A novel series of bioactive water soluble mixed ligand complexes (1-5) [MII(L)(phen)AcO]. nH2O {where M = Cu (1) n = 2; Co (2), Mn (3), Ni (4), n = 4 and Zn (5) n = 2} were synthesized from 2-(2-Morpholinoethylimino) methyl)phenol Schiff base ligand (LH), 1, 10-phenanthroline and metal(II) acetate salt in a 1:1:1 stoichiometric ratio and characterized by several spectral techniques. The obtained analytical and spectral data suggest the octahedral geometry around the central metal ion. Density functional theory calculations have been further supportive to explore the optimized structure and chemical reactivity of these complexes from their frontier molecular orbitals. Gel electrophoresis result indicates that complex (1) manifested an excellent DNA cleavage property than others. The observed binding constants with free energy changes by electronic absorption technique and DNA binding affinity values by viscosity measurements for all compounds were found in the following order (1) > (2) > (4) > (5) > (3) > (LH). The binding results and thermodynamic parameters are described the intercalation mode. In vitro antioxidant properties disclose that complex (1) divulges high scavenging activity against DPPHâ¢, â¢OH, O2-⢠NOâ¢, and Fe3+. The antimicrobial reports illustrate that the complexes (1-5) were exhibited well defined inhibitory effect than ligand (LH) against the selected different pathogenic species. The observed percentage growth inhibition against A549, HepG2, MCF-7, and NHDF cell lines suggest that complex (1) has exhibited superior anticancer potency than others. Thus, the complex (1) may contribute as potential anticancer agent due to its unique interaction mode with DNA.GRAPHICAL ABSTRACT Communicated by Ramaswamy H. Sarma.
Asunto(s)
Antiinfecciosos/química , Antineoplásicos/química , Antioxidantes/química , ADN/química , Teoría Funcional de la Densidad , Modelos Moleculares , Termodinámica , Algoritmos , Antiinfecciosos/farmacología , Antineoplásicos/farmacología , Antioxidantes/farmacología , Línea Celular Tumoral , Supervivencia Celular/efectos de los fármacos , Humanos , Ligandos , Pruebas de Sensibilidad Microbiana , Estructura Molecular , Bases de Schiff/química , Solubilidad , Agua/químicaRESUMEN
Novel gold and platinum complexes [AuL2]·Cl, 1 and [PtL2]·2Cl, 2 with ligand, 2-methoxy-6-((2-(4-(trifluoromethyl)pyrimidin-2-yl)hydrazono)methyl)phenol (HL) have been synthesized and screened for their antimicrobial, antioxidant, DNA binding and anticancer (in vitro) activities. The single crystal of ligand HL was obtained by slow evaporation technique. The molecular structure of HL was confirmed from single crystal X-ray technique. Density functional theory calculations have been performed to gain insights into the electronic structure of these metal complexes. Antimicrobial result shows that, HL and complexes (1 and 2) have good antimicrobial agents against E. coli (bacteria) and C. albicans (fungi) than others bacterial and fungal strains. Antioxidant assay results suggest that, HL and complexes (1 and 2) possess good radical scavenging activity against diverse free radicals (DPPH, SOD, NO and H2O2). The intercalative interactions of HL and complexes (1 and 2) with CT-DNA were confirmed from spectroscopic titrations and viscometric measurements. Furthermore, the interactions of prepared compounds with DNA were confirmed by molecular docking analysis. In order to understand the nature of interactions between these metal complexes and BSA protein results clearly shows that complex 1 binds better than that of complex 2. The antitumor activities of prepared products were tested against single normal and different tumor cell lines by MTT assay. These results reveal that prepared complexes (1 and 2) have significant cytotoxic effect against tumor cell lines.
Asunto(s)
Antibacterianos/farmacología , Antifúngicos/farmacología , Antineoplásicos/farmacología , Antioxidantes/farmacología , Complejos de Coordinación/farmacología , ADN de Neoplasias/efectos de los fármacos , Albúmina Sérica Bovina/efectos de los fármacos , Antibacterianos/síntesis química , Antibacterianos/química , Antifúngicos/síntesis química , Antifúngicos/química , Antineoplásicos/síntesis química , Antineoplásicos/química , Antioxidantes/síntesis química , Antioxidantes/química , Candida albicans/efectos de los fármacos , Línea Celular Tumoral , Proliferación Celular/efectos de los fármacos , Complejos de Coordinación/síntesis química , Complejos de Coordinación/química , ADN de Neoplasias/química , Teoría Funcional de la Densidad , Relación Dosis-Respuesta a Droga , Ensayos de Selección de Medicamentos Antitumorales , Escherichia coli/efectos de los fármacos , Radicales Libres/antagonistas & inhibidores , Oro/química , Oro/farmacología , Humanos , Ligandos , Pruebas de Sensibilidad Microbiana , Simulación del Acoplamiento Molecular , Estructura Molecular , Platino (Metal)/química , Platino (Metal)/farmacología , Pirimidinas/química , Pirimidinas/farmacología , Albúmina Sérica Bovina/química , Relación Estructura-ActividadRESUMEN
Biochemically active Cu(II) and Zn(II) complexes [CuL(ClO4)2(1) and ZnL(ClO4)2(2)] have been synthesized from N,N donor Schiff base ligand L derived from4,6-dichloropyrimdine-5-carboxaldehyde with 4-(2-aminoethyl)morpholine. The L, complexes 1 and 2 have been structurally characterized by elemental analysis, 1H-NMR, FTIR, MS, UV-Visible and ESR techniques. The results obtained from the spectral studies supports the complexes 1 and 2 are coordinated with L through square planar geometry. DFT calculations results supports, the ligand to metal charge transfer mechanism can occur between L and metal(II) ions. The antimicrobial efficacy results have been recommended that, complexes 1 and 2 are good anti-pathogenic agents than ligand L. The interaction of complexes 1 and 2 with calf thymus (CT) DNA has been studied by electronic absorption, viscometric, fluorometric and cyclic voltammetric measurements. The calculated Kb values for L, complexes 1 and 2 found from absorption titrations was 4.45 × 104, L; 1.92 × 105, 1 and 1.65 × 105, 2. The Ksv values were found to be 3.0 × 103, 3.68 × 103and 3.52 × 103 for L, complexes 1 and 2 by using competitive binding with ethidium bromide (EB). These results suggest that, the compounds are interacted with DNA may be electrostatic binding. The molecular docking studies have been carried out to confirm the interaction of compounds with DNA. Consequently, in vitro anticancer activities of L, complexes 1 and 2 against selected cancer (lung cancer A549, liver cancer HepG2 and cervical carcinoma HeLa) and normal (NHDF) cell lines were assessed by MTT assay.
Asunto(s)
Antiinfecciosos/farmacología , Antineoplásicos/farmacología , Cobre/química , ADN/química , Simulación del Acoplamiento Molecular , Pirimidinas/química , Zinc/química , Antiinfecciosos/síntesis química , Antiinfecciosos/química , Antineoplásicos/síntesis química , Antineoplásicos/química , Bacterias/efectos de los fármacos , Línea Celular , Proliferación Celular/efectos de los fármacos , Cobre/farmacología , Relación Dosis-Respuesta a Droga , Ensayos de Selección de Medicamentos Antitumorales , Hongos/efectos de los fármacos , Células HeLa , Células Hep G2 , Humanos , Ligandos , Pruebas de Sensibilidad Microbiana , Pirimidinas/farmacología , Teoría Cuántica , Relación Estructura-Actividad , Zinc/farmacologíaRESUMEN
Facile one-pot synthesis has been demonstrated for new biocompatible and dual responsive magnetic iron oxide nanoparticles cross-linked poly(vinyl alcohol) (PVA) blended natural polymer chitosan (CS) based hydrogel beads (mCS-PVA) as a controlled natural anticancer alkaloid Luotonin A (LuA) delivery system. The prepared magnetic hydrogel beads were characterized using powder X-ray diffraction measurement, Fourier transform-infrared spectroscopy, scanning electron microscopy, energy dispersive X-ray spectroscopy, and vibrating sample magnetometer. The magnetic hydrogel beads are exhibited significant water retention and follow the second order kinetic model in swelling study. The swelling ratio of the magnetic gel beads increased by the addition of PVA and showed a maximum swelling ratio of 40.83 ± 1.01 g/g and follows non-Fickian water transport mechanism. Stimuli responsive mCS and mCS-PVA hydrogel beads functionalized with LuA is demonstrated for controlled release at physiological pH and under magnetic field. The magnetic hydrogel beads show highest LuA releasing efficacy at acidic medium (pH = 5.0) with maximum efficiency of 73.33 ± 1.44%. This efficacy may also be tuned by altering the external magnetic field as well as the weight percentage (wt %) of polyethylene glycol. It is clearly that the newly produced magnetic hydrogel beads can be served as an effective intestinal LuA delivery system. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 543-551, 2018.
Asunto(s)
Alcaloides/farmacocinética , Antineoplásicos/farmacología , Sistemas de Liberación de Medicamentos , Hidrogeles/química , Magnetismo , Microesferas , Alcohol Polivinílico/síntesis química , Pirroles/farmacología , Quinonas/farmacología , Alcaloides/administración & dosificación , Antineoplásicos/administración & dosificación , Quitosano/química , Preparaciones de Acción Retardada/farmacología , Difusión , Liberación de Fármacos , Células HeLa , Humanos , Cinética , Células MCF-7 , Nanopartículas de Magnetita/química , Alcohol Polivinílico/química , Espectrometría por Rayos X , Espectroscopía Infrarroja por Transformada de Fourier , Termogravimetría , Agua , Difracción de Rayos XRESUMEN
A new pyrimidine derivative Schiff base ligand (HL) [HL = 2-(4,6-dimethylpyrimidin-2-ylimino)methyl)-4-nitrophenol] and its metal(II) complexes [CuL2] (1), [CoL2] (2), [NiL2] (3) and [ZnL2] (4) have been synthesized and characterized by several spectral techniques. The square planar geometry of the complexes 1-4 confirmed by UV-Visible, ESR and EI-mass spectral techniques. DNA binding study of the complexes 1-4 with Calf Thymus (CT) DNA using absorption spectral titration at different pH (4.0, 7.0 & 10.0) have been scrutinized that the complexes 1-4 bound by groove binding mode with significant binding constant values (K b = 5.61 × 105 M-1 (1), 2.60 × 105 M-1 (2), 2.48 × 105 M-1 (3) and 6.98 × 104 M-1 (4) at pH = 10.0. Binding nature of the complexes 1-4 with CT DNA has further confirmed by emission, viscometry and cyclic voltammetry which also recommended that complexes 1-4 bound with CT DNA. The complexes 1-4 possessed effective scavenging effect during the DPPH and SOD radical scavenging method. The antibacterial activity of the complexes 1-4 was vetted against several bacterial strains and the results shows that the ligand (HL) and complexes 1-4 are more active in Bascillus subtilis. The anticancer activity of the complexes 1-4 was evaluated against Human Breast Cancer Cells (MCF-7), Human Cervical Cancer Cells (HeLa), Human Laryngeal Epithelial Carcinoma (HEp2) and Normal Human Dermal Fibroblast (NHDF) by MTT assay, which revealed that complexes 1 & 2 have modest activity against the cancer cell lines than ligand (HL) and complexes 3 & 4.