Biophysical insights into the binding capability of Cu(II) schiff base complex with BSA protein and cytotoxicity studies against SiHa

Maity, Minakshi; Pramanik, U. Datta; Hathwar, Venkatesha R.; Brandão, Paula; Mukherjee, Saptarshi; Maity, Swapan; Maity, Ribhu; Maity, Tithi; Samanta, Bidhan Chandra

doi:10.1016/j.heliyon.2022.e11345

Cited by 5 publications

(2 citation statements)

References 37 publications

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“…BSA is a commonly used model protein, and its interactions with other molecules can provide insights into the behaviour of larger biological macromolecules. 32 Understanding this binding interaction between the complex and BSA is essential, especially in the field of drug delivery, molecular recognition, and biochemistry.…”

Section: Resultsmentioning

confidence: 99%

Synthesis, crystal structure, lipophilicity, antioxidant activity, binding interactions, and antibacterial activity against methicillin-resistant Staphylococcus aureus of a Ni(ii) Schiff base complex: combined theoretical and experimental approaches

Das,

Maity,

Sarkar

et al. 2024

New J. Chem.

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Section: Resultsmentioning

confidence: 99%

Synthesis, crystal structure, lipophilicity, antioxidant activity, binding interactions, and antibacterial activity against methicillin-resistant Staphylococcus aureus of a Ni(ii) Schiff base complex: combined theoretical and experimental approaches

Das,

Maity,

Sarkar

et al. 2024

New J. Chem.

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“…They can act as catalysts in transformations of organic synthesis 5,6 . They may exhibit excellent bioactive capabilities such as antimicrobial, antioxidant, DNA/BSA binding, anticancer, and biosensor activities 7–15 . Photophysical, electronic and magnetic properties of Schiff base metal complexes are deeply interested in a great number of researchers in material science 16–20 .…”

Section: Introductionmentioning

confidence: 99%

Synthesis, structural characterization and bioactivities of iron(III) and copper(II) complexes containing Schiff base thiourea ligands of 5‐(tert‐butyl)‐2‐hydroxybenzaldehyde

Trung,

Nam,

Van Tuyen

2024

Vietnam Journal of Chemistry

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Azomethine and thiourea groups possess potential bioactive functions in pharmacological substances so organic ligands containing both imine and thiourea groups and their metal complexes will be expected to have remarkable bioactivities. In this study, some iron(III) and copper(II) complexes containing Schiff base thiourea ligands derived from 1‐(2‐aminoethyl)‐3‐phenylthiourea or 1‐(2‐aminophenyl)‐3‐phenylthiourea and 5‐(tert‐butyl)‐2‐hydroxybenzaldehyde were synthesized and characterized by modern physicochemical analysis approaches such as mass, infrared, UV–vis spectra and effective magnetic moments. The analytical data have supported for the structures of iron(III) complexes in the molecular ratio of 1:2 of iron(III) and the relative ligand while copper(II) complexes in the ratio of 1:1. The synthetic ligands coordinated with iron(III) as NO bidentate mode, however they chelated with copper(II) as NNOS tetradentate possibly. The obtained iron(III) complexes possess high‐spin octahedral geometry when copper(II) complexes perform distorted square planar. The obtained metal complexes were investigated in their thermal stability and chemical components by the thermogravimetric analysis. The synthetic Schiff base thiourea ligands were examined for their antimicrobial activity. Additionally, the synthesized complexes were estimated for their in vitro anticancer property against human cancer cell lines, hepatic cancer cells (HepG‐2), and lung adenocarcinoma cells (A549).

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Investigation of antitumor activity and albumin interaction of new sulfosalicylate‐based complex by spectroscopic and computational approaches

Behroozi,

Dehghanian,

Mansouri‐Torshizi

2024

Luminescence

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In the present study, the drug delivery by albumin protein and antiproliferetaive activity of new transition metal complex i.e., [Pd (phen)(SSA)] (where phen and SSA represent 1, 10 phenanthroline and sulfosalicylic acid, respectively) was investigated. DFT (density functional theory) calculations were conducted at B3LYP level with 6‐311G(d,p)/aug‐ccpVTZ‐PP basis set for the purpose of geometry optimization, frontier molecular orbital (FMO) analysis, molecular electrostatic potential (MEP), and natural bond orbital (NBO) analysis. Experimental tests were conducted to preliminarily assess the lipophilicity and antitumor activity of the metal complex, resulting in promising findings. In‐silico prediction was accomplished to assess its toxicity and bioavailability. To evaluate the binding of the newly formed complex with DNA (which results in halting the cell cycle) or serum albumin protein (drug transporter to the tissues), in‐silico molecular modeling was employed. Experimental results (spectroscopic and non‐spectroscopic) showed that the new compound interacts with each biomolecule via hydrogen bond and van der Waals interactions. Molecular docking demonstrated the binding of this complex to the DNA groove and site I of BSA occurs mainly through hydrogen bonds. Molecular dynamics simulation confirmed the interactions between [Pd (phen)(SSA)] with DNA or BSA through stable hydrogen bonds.

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Biophysical insights into the binding capability of Cu(II) schiff base complex with BSA protein and cytotoxicity studies against SiHa

Cited by 5 publications

References 37 publications

Synthesis, crystal structure, lipophilicity, antioxidant activity, binding interactions, and antibacterial activity against methicillin-resistant Staphylococcus aureus of a Ni(ii) Schiff base complex: combined theoretical and experimental approaches

Synthesis, crystal structure, lipophilicity, antioxidant activity, binding interactions, and antibacterial activity against methicillin-resistant Staphylococcus aureus of a Ni(ii) Schiff base complex: combined theoretical and experimental approaches

Synthesis, structural characterization and bioactivities of iron(III) and copper(II) complexes containing Schiff base thiourea ligands of 5‐(tert‐butyl)‐2‐hydroxybenzaldehyde

Investigation of antitumor activity and albumin interaction of new sulfosalicylate‐based complex by spectroscopic and computational approaches

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