Factors influencing the stability of ATP in ternary complexes: Spectroscopic investigation of the interaction of certain biomimetic copper(II) complexe with ATP and AMP

Somasundaram, I.; Palaniandavar, Mallayan

doi:10.1016/0162-0134(94)85024-0

Cited by 16 publications

(5 citation statements)

References 63 publications

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“…The observed hypochromism in the present case is very large compared to that observed for potential intercalators [40]. Since the present complexes do not contain any fused aromatic ring to facilitate intercalation, it is clear that the weak MeS bonds in the complex facilitate ligand displacement on adding DNA and that the interaction of DNA with metal(II) through sugarephosphate oxygen, N7 of purines etc., is stabilized.…”

Section: Epr Spectral Studymentioning

confidence: 62%

In vivo and in vitro evaluation of highly specific thiolate carrier group copper(II) and zinc(II) complexes on Ehrlich ascites carcinoma tumor model

Raman¹,

Jeyamurugan²,

Senthilkumar

et al. 2010

European Journal of Medicinal Chemistry

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Section: Epr Spectral Studymentioning

confidence: 62%

In vivo and in vitro evaluation of highly specific thiolate carrier group copper(II) and zinc(II) complexes on Ehrlich ascites carcinoma tumor model

Raman¹,

Jeyamurugan²,

Senthilkumar

et al. 2010

European Journal of Medicinal Chemistry

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“…In these cases, complex ( 1a ) shows greater binding effectiveness among others owing to its robust binding affinity with deoxyribonucleic acid through intercalation. As a result, it is proposed that the complexes consist of an aromatic planar linked with a morpholine moiety as well as 2,2′-bipyridine planar systems that may strongly bind to DNA through intercalation, and it is also validated by the value of the diffusion coefficient ( D 0 ) of the compound alone and the DNA-bound test substance with the aid of the subsequent quasireversible Randles–Sevcik equation ( 34 ) ( Table 6 ) [ 100 , 101 ]. On adding DNA to test compounds, the anodic/cathodic peak currents of the M (I)/M (II) reduced due to a diminishing of D 0 .…”

Section: Resultsmentioning

confidence: 99%

Comprehensive Assessment of Biomolecular Interactions of Morpholine-Based Mixed Ligand Cu(II) and Zn(II) Complexes of 2,2′-Bipyridine as Potential Anticancer and SARS-CoV-2 Agents: A Synergistic Experimental and Structure-Based Virtual Screening

Sakthikumar

Krause

Isamura

2022

Bioinorganic Chemistry and Applications

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A new class of pharmacologically active mixed-ligand complexes (1a-2a) [MII(L)2 (bpy)], where L = 2-(4-morpholinobenzylideneamino)phenol), bpy = 2,2′-bipyridine, MII = Cu (1a), and Zn (2a), were assigned an octahedral geometry by analytical and spectral measurements. Gel electrophoresis showed that complex (1a) demonstrated the complete DNA cleavage mediated by H2O2. The overall DNA-binding constants observed from UV-vis, fluorometric, hydrodynamic, and electrochemical titrations were in the following sequence: (1a) > (2a) > (HL), which suggests that the complexes might intercalate DNA, a possibility that is further supported by the biothermodynamic characteristics. The binding constant results of BSA by electronic absorption and fluorometric titration demonstrate that complex (1a) exhibits the highest binding effectiveness among others, which means that all compounds could interact with BSA through a static approach, additionally supported by FRET measurements. Density FunctionalTheory (DFT) and molecular docking calculations were relied on to unveil the electronic structure, reactivity, and interacting capability of all substances with DNA, BSA, and SARS-CoV-2 main protease (Mpro). These observed binding energies fell within the following ranges: −7.7 to −8.6, −7.2 to −10.2, and −6.7 to −8.2 kcal/mol, respectively. The higher reactivity of the complexes compared to free ligand is supported by the Frontier MolecularOrbital (FMO) theory. The in vitro antibacterial, cytotoxic, and radical scavenging characteristics revealed that complex (1a) has the best biological efficacy compared to others. This is encouraged because all experimental findings are closely correlated with the theoretical measurements.

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“…As a result, it is proposed that the present complexes consist of an aromatic planar linked with a morpholine moiety as well as 1,10-phenanthroline aromatic planar systems that may strongly interact with deoxyribonucleic acid via intercalation, and it is also validated by the finding of the diffusion coefficient (D 0 ) of the substance alone, and the deoxyribonucleic acid-bound substance with the aid of the subsequent quasi-reversible Randles–Sevcik Equation (S34) ( ESI-2a ) [ 108 ]. It is also measured with the help of the Bard–Faulkner equation [α = 47.7/(EPa − EP/2) ( Table 6 ) [ 109 ]. On adding DNA to all test compounds, the anodic/cathodic peak currents of the M(I)/M(II) reduced due to a diminishing of D 0 .…”

Section: Resultsmentioning

confidence: 99%

An Integrated Analysis of Mechanistic Insights into Biomolecular Interactions and Molecular Dynamics of Bio-Inspired Cu(II) and Zn(II) Complexes towards DNA/BSA/SARS-CoV-2 3CLpro by Molecular Docking-Based Virtual Screening and FRET Detection

2022

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Novel constructed bioactive mixed-ligand complexes (1b) [CuII(L)2(phen)] and (2b) [ZnII(L)2(phen)] {where, L = 2-(4-morpholinobenzylideneamino)phenol), phen = 1,10-phenanthroline} have been structurally analysed by various analytical and spectroscopic techniques, including, magnetic moments, thermogravimetric analysis, and X-ray crystallography. Various analytical and spectral measurements assigned showed that all complexes appear to have an octahedral geometry. Agar gel electrophoresis’s output demonstrated that the Cu(II) complex (1b) had efficient deoxyribonucleic cleavage and complex (2b) demonstrated the partial cleavage accomplished with an oxidation agent, which generates spreadable OH● through the Fenton type mechanism. The DNA binding constants observed from viscosity, UV–Vis spectral, fluorometric, and electrochemical titrations were in the following sequence: (1b) > (2b) > (HL), which suggests that the complexes (1b–2b) might intercalate DNA, a possibility that is supported by the biothermodynamic measurements. In addition, the observed binding constant results of BSA by electronic absorption and fluorometric titrations indicate that complex (1b) revealed the best binding efficacy as compared to complex (2b) and free ligand. Interestingly, all compounds are found to interact with BSA through a static approach, as further attested by FRET detection. The DFT and molecular docking calculations were also performed to realize the electronic structure, reactivity, and binding capability of all test samples with CT-DNA, BSA, and the SARS-CoV-2 3CLPro, which revealed the binding energies were in a range of −8.1 to −8.9, −7.5 to −10.5 and −6.7–−8.8 kcal/mol, respectively. The higher reactivity of the complexes than the free ligand is supported by the FMO theory. Among all the observed data for antioxidant properties against DPPH᛫, ᛫OH, O2−• and NO᛫ free radicals, complex (1a) had the best biological efficacy. The antimicrobial and cytotoxic characteristics of all test compounds have been studied by screening against certain selected microorganisms as well as against A549, HepG2, MCF-7, and NHDF cell lines, respectively. The observed findings revealed that the activity enhances coordination as compared to free ligand via Overtone’s and Tweedy’s chelation mechanisms. This is especially encouraging given that in every case, the experimental findings and theoretical detections were in perfect accord.

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Factors influencing the stability of ATP in ternary complexes: Spectroscopic investigation of the interaction of certain biomimetic copper(II) complexe with ATP and AMP

Cited by 16 publications

References 63 publications

In vivo and in vitro evaluation of highly specific thiolate carrier group copper(II) and zinc(II) complexes on Ehrlich ascites carcinoma tumor model

In vivo and in vitro evaluation of highly specific thiolate carrier group copper(II) and zinc(II) complexes on Ehrlich ascites carcinoma tumor model

Comprehensive Assessment of Biomolecular Interactions of Morpholine-Based Mixed Ligand Cu(II) and Zn(II) Complexes of 2,2′-Bipyridine as Potential Anticancer and SARS-CoV-2 Agents: A Synergistic Experimental and Structure-Based Virtual Screening

An Integrated Analysis of Mechanistic Insights into Biomolecular Interactions and Molecular Dynamics of Bio-Inspired Cu(II) and Zn(II) Complexes towards DNA/BSA/SARS-CoV-2 3CLpro by Molecular Docking-Based Virtual Screening and FRET Detection

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