In silico DNA topo IIβ binding and in vitro DNA interaction, anti-proliferative, and anti-bacterial activities of two new ternary Copper (II) schiff base complexes

Reddy, P. Rabindra; Swamy, Merugu Kumara; Satyanarayana, B.

doi:10.1016/j.cdc.2018.11.001

Cited by 6 publications

(3 citation statements)

References 39 publications

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“…Formation and coordination of azomethine nitrogen with the metal ions can be explained on the basis of the shift in the stretching vibration of υCN band from 1643 cm −1 in the ligand to 1636–1633 cm −1 in the metal complexes. [ 20 ] A positive shift of υCO band at 1239 cm −1 by 7–13 cm −1 in the derived metal ion complexes indicates coordination of phenolic oxygen to the central metal ion. [ 21 ] The stretching band at 1445 cm −1 assigned to CF bond shows no noticeable shift in the metal complexes, which indicates its non‐bonding nature.…”

Section: Resultsmentioning

confidence: 99%

DNA interaction, molecular dynamics simulation, molecular docking, biological, in vivo anti‐inflammatory and thermal studies of o‐hydroxyacetophenone and 2‐fluoroaniline Schiff base complexes

Maddikayala

Bengi

Reddy

2022

Applied Organom Chemis

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Series of transition metal complexes [Fe (HL) 2 Cl(H 2 O)](1), [Co (HL) 2 ](2), [Ni (HL) 2 ](3) and [Cu (HL) 2 ](4) were derived on condensation of Schiff base ligand o-hydroxyacetophenone with 2-fluoroaniline in 1:1 ratio (HL) and characterized by spectral and analytical techniques. Based on the studies, complex 1 was found to be octahedral and complexes (2), ( 3) and ( 4) square planar. Coats-Redfern calculations suggest that all the complexes are nonspontaneous and thermally stable. DNA binding studies revealed intercalation binding mode, while intrinsic binding constant (K b ) and Stern-Volmer quenching constant (K sq ) support high binding abilities. The nuclease activity using CT-DNA was studied by gel electrophoresis. Docking studies were deduced using Accelry's Discovery Studio 2.1 program to understand binding affinities.The MD simulation, carried in order to analyse the stability of ligand and human topoisomerase I (PDB ID: 1T8I) complex for 100 ns using the Desmond 2020.1 from Schrödinger, LLC, revealed stable conformation of the ligand. In vivo, carrageenan induced inflammation studies in paw volume were carried out in rats, and results showed a higher rate of oedema inhibition for complex 4. Cytotoxicity and antimicrobial assay reveal that complex 4 exhibited higher cytotoxic and antimicrobial activity over other complexes and the ligand.

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Section: Resultsmentioning

confidence: 99%

DNA interaction, molecular dynamics simulation, molecular docking, biological, in vivo anti‐inflammatory and thermal studies of o‐hydroxyacetophenone and 2‐fluoroaniline Schiff base complexes

Maddikayala

Bengi

Reddy

2022

Applied Organom Chemis

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“…The extent of quenching of the fluorescence intensity assigns a measure of association of the complex with BSA. Small molecules bind independently to a set of sites in a protein molecule, and the equilibrium between the free and the bound molecule is given by the Scatchard equation [35,36], Equation (2).…”

Section: Protein Binding Studiesmentioning

confidence: 99%

“…Cancer is undoubtedly a potentially life-threatening disease for humanity that can greatly affect the quality of human life [1][2][3][4][5]. The numerous side effects of cisplatin such as nausea, kidney and liver failure (typical of heavy metal toxicity) have induced the search for better alternative candidates to non-platinum metal complexes such as copper, cobalt, nickel, zinc, ruthenium, and iron [6][7][8][9][10].…”

Section: Introductionmentioning

confidence: 99%

Docking Studies, Cytotoxicity Evaluation and Interactions of Binuclear Copper(II) Complexes with S-Isoalkyl Derivatives of Thiosalicylic Acid with Some Relevant Biomolecules

Dimitrijević,

Solovjova,

Bukonjić

et al. 2023

IJMS

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The numerous side effects of platinum based chemotherapy has led to the design of new therapeutics with platinum replaced by another transition metal. Here, we investigated the interactions of previously reported copper(II) complexes containing S-isoalkyl derivatives, the salicylic acid with guanosine-5′-monophosphate and calf thymus DNA (CT-DNA) and their antitumor effects, in a colon carcinoma model. All three copper(II) complexes exhibited an affinity for binding to CT-DNA, but there was no indication of intercalation or the displacement of ethidium bromide. Molecular docking studies revealed a significant affinity of the complexes for binding to the minor groove of B-form DNA, which coincided with DNA elongation, and a higher affinity for binding to Z-form DNA, supporting the hypothesis that the complex binding to CT-DNA induces a local transition from B-form to Z-form DNA. These complexes show a moderate, but selective cytotoxic effect toward colon cancer cells in vitro. Binuclear complex of copper(II) with S-isoamyl derivative of thiosalicylic acid showed the highest cytotoxic effect, arrested tumor cells in the G2/M phase of the cell cycle, and significantly reduced the expression of inflammatory molecules pro-IL-1β, TNF-α, ICAM-1, and VCAM-1 in the tissue of primary heterotopic murine colon cancer, which was accompanied by a significantly reduced tumor growth and metastases in the lung and liver.

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New trinuclear nickel(II) complexes as potential topoisomerase I/IIα inhibitors: in vitro DNA binding, cleavage and cytotoxicity against human cancer cell lines

et al. 2022

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In silico DNA topo IIβ binding and in vitro DNA interaction, anti-proliferative, and anti-bacterial activities of two new ternary Copper (II) schiff base complexes

Cited by 6 publications

References 39 publications

DNA interaction, molecular dynamics simulation, molecular docking, biological, in vivo anti‐inflammatory and thermal studies of o‐hydroxyacetophenone and 2‐fluoroaniline Schiff base complexes

DNA interaction, molecular dynamics simulation, molecular docking, biological, in vivo anti‐inflammatory and thermal studies of o‐hydroxyacetophenone and 2‐fluoroaniline Schiff base complexes

Docking Studies, Cytotoxicity Evaluation and Interactions of Binuclear Copper(II) Complexes with S-Isoalkyl Derivatives of Thiosalicylic Acid with Some Relevant Biomolecules

New trinuclear nickel(II) complexes as potential topoisomerase I/IIα inhibitors: in vitro DNA binding, cleavage and cytotoxicity against human cancer cell lines

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