scholarly journals Effect of Net Charge on DNA-Binding, Protein-Binding and Anticancer Properties of Copper(I) Phosphine-Diimine Complexes

2021 ◽  
Author(s):  
Sammar Alsaedi ◽  
Bandar A. Babgi ◽  
Magda H. Abdellatif ◽  
Abdul-Hamid Emwas ◽  
Mariusz Jaremko ◽  
...  
Keyword(s):  
Dna Binding ◽  
Emission Spectra ◽  
Disodium Salt ◽  
Disulfonic Acid ◽  
Anticancer Activities ◽  
Binding Studies ◽  
Net Charge ◽  
Major Mechanism ◽  
Anticancer Properties ◽  
Ct Dna

AbstractThe syntheses of [Cu(PPh3)2(L)]NO3 and [Cu(PPh3)2(L-SO3Na)]NO3 were achieved through the reaction of Cu(PPh3)2NO3 and equimolar amount of the ligands (L = 5,6-diphenyl-3-[2-pyridyl]-1,2,4-triazine; LSO3Na = 5,6-diphenyl-3-[2-pyridyl]-1,2,4-triazine-4,4′-disulfonic acid disodium salt). The complexes were characterized by NMR and IR spectroscopy and mass spectrometry. The compounds exhibit similar absorption and emission spectra, suggesting a similar electronic structure. Ct-DNA binding studies show the strong influence of the net charge as Cu-L (positively charged) is able to bind to ct-DNA while Cu-LSO3Na (negatively charged) is not. The net charge of the complexes affects the thermodynamic and kinetic binding parameters toward human serum albumin. HSA-binding of the complexes was further investigated by molecular docking, revealing different binding sites on the HSA protein as a function of the net charge. The different anticancer activities of the complexes towards ovcar-3 and hope-62 cancer cell lines are suggestive of a role for the overall charge of the complexes. Interaction with the DNA is not the major mechanism for this class of complexes. The overall net charge of the pharmacophore (anticancer agent) should be a key consideration in the design of anticancer metal complexes.

Synthesis, crystal structure, DFT/TDDFT calculation, photophysical properties and DNA binding studies of morpholino moiety ligand based two Cu(ii) complexes in combination with carboxylates

RSC Advances ◽  
2016 ◽  
Vol 6 (65) ◽  
pp. 60487-60501 ◽  
Author(s):  
Aparup Paul ◽  
Soumen Mistri ◽  
Apurba Bhunia ◽  
Soumen Manna ◽  
Horst Puschmann ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dna Binding ◽  
Dft Calculations ◽  
Photophysical Properties ◽  
Binding Constants ◽  
Binding Studies ◽  
Td Dft ◽  
Dna Binding Studies ◽  
Ct Dna

Two Cu(II) compounds have been characterized by structure analyses and DFT/TD-DFT calculations. Both the complexes potentially bind with CT-DNA and corresponding binding constants are in the order of 105 M−1.

scholarly journals Synthesis, Computational studies, DNA-binding and cytotoxicity of 4-Thiazolidonone-cyclopropyl hybrid

2021 ◽  
Author(s):  
MD MUSHTAQUE ◽  
Fernando Avecilla ◽  
Mariyam Jahan ◽  
Irfan Ahmad ◽  
Mohd Saeed ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Dna Binding ◽  
Computational Study ◽  
Docking Study ◽  
Moderate Activity ◽  
Binding Studies ◽  
Molecular Docking Study ◽  
Spectral Techniques ◽  
Ct Dna

Abstract A derivative of 4-Thiazolidinone derivative endowing cyclopropyl ring substituted at 3-nitrogen positioned was synthesized that was further evaluated against cancerous cell lines MCF-7. The structure of synthesized compound (6) was well characterized by different spectral techniques such as FT-IR, UV-Visible, 1H-NMR, 13C-NMR and mass spectrophotometer. X-ray single crystal structure and Computational study (DFT) study revealed that compound (6) adopted (2Z, 5Z)-configuration. Preliminary In vitro study suggested that compound (6) displayed moderate activity bearing IC50(161.0 μM). The DNA binding studies (Ct-DNA) with compound (6) was performed. The study suggested that bound with DNA exhibiting binding constant Kb = 3.3 x 104 LMol-1). Furthermore, the binding study was complemented by Molecular docking possessingDNA binding studies (Ct-DNA) were performed. Final compound (6) exhibited moderate cytotoxicity effect (IC50 = 161.0 μM) and DNA binding ability (Kb = 3.3 x 104 LMol-1). The experimental findings were completed by molecular docking study.

Spectroscopic and In Silico DNA Binding Studies on the Interaction of Some New N-Substituted Rhodanines with Calf-thymus DNA: In Vitro Anticancer Activities

2019 ◽  
Vol 19 (3) ◽  
pp. 425-433 ◽  
Author(s):  
Imran Ali ◽  
Mohammad N. Lone ◽  
Zeid A. Alothman ◽  
Ahmad Y. Badjah ◽  
Abdullah G. Alanazi
Keyword(s):  
Dna Binding ◽  
Anticancer Agents ◽  
In Silico ◽  
Calf Thymus Dna ◽  
Black Dot ◽  
Anticancer Activities ◽  
Binding Studies ◽  
Molecular Docking Study ◽  
Calf Thymus ◽  
Dna Binding Studies

Background: In this era of science, cancer is a black dot on the face of humankind. Consequently, the search of promising anticancer agents continues. Aims: Here we designed and synthesized new N-substituted rhodanines (RD1-7), evaluated their multispectroscopic interaction with calf thymus DNA, in silico and anticancer studies against MDA-MB-231cancer cell line. Methods: By MTT assay rhodanine RD1 was found to be the most potent with IC50 value of 72.61 μM. In addition, DNA binding studies (UV-vis and fluorescence) revealed strong binding affinity of RD1-7 with DNA (Kb in the range of 1.5-7.4 × 105 M-1). Moreover, molecular docking study, experimental DNA binding and anticancer studies are all well agreed to each other. Results: It was observed that H-bonding and hydrophobic attractions were responsible for stability of DNAcompound adducts. Besides, the reported rhodanines (RD1-7) were found as minor groove binders of DNA. Concisely, RD1-7 indicated promising pharmacological properties and hence, shows auspicious future for the development of novel anticancer agents. Conclusion: The reported rhodanines showed excellent anticancer properties. Therefore, the described rhodanines may be used as potential anticancer agents in the future.

scholarly journals Synthesis, Characterization, and BSA-Binding Studies of Novel Sulfonated Zinc-Triazine Complexes

2018 ◽  
Vol 2018 ◽  
pp. 1-7 ◽  
Author(s):  
Nalin Abeydeera ◽  
Inoka C. Perera ◽  
Theshini Perera
Keyword(s):  
Bathochromic Shift ◽  
Binding Constants ◽  
Disodium Salt ◽  
Water Soluble ◽  
Disulfonic Acid ◽  
Binding Studies ◽  
H Nmr ◽  
Acid Sodium Salt ◽  
Vis Spectroscopy ◽  
Chemical Formulas

Four Zn(II) complexes containing a pyridyl triazine core (L1 = 3-(2-pyridyl)-5,6-di(2-furyl)-1,2,4-triazine-5′,5″-disulfonic acid disodium salt and L2 = 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine-4′,4″-disulfonic acid sodium salt) were synthesized, and their chemical formulas were finalized as [Zn(L1)Cl2]·5H2O·ZnCl2 (1), [Zn(L1)2Cl2]·4H2O·2CH3OH (2), [Zn(L2)Cl2]·3H2O·CH3OH (3), and [Zn(L2)2Cl2] (4). The synthesized complexes are water soluble, making them good candidates for biological applications. All four complexes have been characterized by elemental analysis and 1H NMR, IR, and UV-Vis spectroscopy. The IR stretching frequency of N=N and C=N bonds of complexes 1–4 have shifted to lower frequencies in comparison with free ligands, and a bathochromic shift was observed in UV-Vis spectra of all four complexes. The binding studies of ligands and complexes 1–4 with bovine serum albumin (BSA) resulted binding constants (Kb) of 3.09 × 104 M−1, 12.30 × 104 M−1, and 16.84 × 104 M−1 for ferene, complex 1, and complex 2, respectively, indicating potent serum distribution via albumins.

Ag(I) and Zn(II) isonicotinate complexes: design, characterization, antimicrobial effect, and CT-DNA binding studies

2015 ◽  
Vol 68 (24) ◽  
pp. 4423-4443 ◽  
Author(s):  
M. Almáši ◽  
Z. Vargová ◽  
D. Sabolová ◽  
J. Kudláčová ◽  
D. Hudecová ◽  
...  
Keyword(s):  
Dna Binding ◽  
Antimicrobial Effect ◽  
Binding Studies ◽  
Dna Binding Studies ◽  
Ct Dna

Synthesis, crystal structure, and DNA-binding studies of different coordinate binuclear silver(i) complexes with benzimidazole open-chain ether ligands

2015 ◽  
Vol 39 (9) ◽  
pp. 7172-7181 ◽  
Author(s):  
Huilu Wu ◽  
Jiawen Zhang ◽  
Chengyong Chen ◽  
Han Zhang ◽  
Hongping Peng ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dna Binding ◽  
Binding Studies ◽  
Open Chain ◽  
Dna Binding Studies ◽  
Ct Dna

Three new binuclear silver(i) complexes with bis-benzimidazole ligands have been developed and they bind to CT-DNA in an intercalation mode.

scholarly journals DNA binding properties, histidine interaction and cytotoxicity studies of water soluble ruthenium(ii) terpyridine complexes

2016 ◽  
Vol 45 (11) ◽  
pp. 4633-4646 ◽  
Author(s):  
Dejan Lazić ◽  
Aleksandar Arsenijević ◽  
Ralph Puchta ◽  
Živadin D. Bugarčić ◽  
Ana Rilak
Keyword(s):  
Dna Binding ◽  
Competitive Binding ◽  
Water Soluble ◽  
Binding Studies ◽  
Binding Properties ◽  
Cytotoxicity Studies ◽  
Vis Spectroscopy ◽  
Spectroscopy Studies ◽  
Ct Dna ◽  
Dna Binding Properties

UV-Vis spectroscopy studies, viscosity measurements and competitive binding studies with EB have revealed the ability of the complexes to bind to CT DNA covalently through N7 of guanine residues and non-covalently through intercalation.

Design and synthesis of sugar-triazole based uracil appended sugar-imine derivatives – an application in DNA binding studies

2015 ◽  
Vol 39 (6) ◽  
pp. 4575-4582 ◽  
Author(s):  
Arasappan Hemamalini ◽  
Ettayapuram Ramaprasad Azhagiya Singam ◽  
Sathish Kumar Mudedla ◽  
Venkatesan Subramanian ◽  
Thangamuthu Mohan Das
Keyword(s):  
Dna Binding ◽  
Binding Studies ◽  
Groove Binding ◽  
Docking Analysis ◽  
Design And Synthesis ◽  
Dna Binding Studies ◽  
Ct Dna

The interaction of the sugar-triazoles with CT-DNA was explored, which revealed that all the compounds could interact with CT-DNA through groove binding, which was further supported by the docking analysis.

Sign in / Sign up

Export Citation Format

Share Document