Exploring the binding properties of DNA/BSA and cytotoxicity studies with new terpyridine-ester-based metal complexes (M = Fe(III), Ni(II), Cu(II) and Ru(III)) – A comparative analysis

International Journal of Biological Macromolecules, Journal Year: 2024, Volume and Issue: 274, P. 132792 - 132792

Published: June 2, 2024

Language: Английский

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Substituent Effect on Cytotoxicity and Interaction Profile of DNA/BSA With Selected Terpyridine Derivatives of Ester/Ferrocene and Their Fe(III) and Ru(III) Complexes—A Comparative Analysis

Applied Organometallic Chemistry, Journal Year: 2025, Volume and Issue: 39(2)

Published: Jan. 26, 2025

ABSTRACT The present work demonstrates the synthesis of ester and ferrocene groups containing new terpyridine‐based ligands ( FRL RL ) their selected meal complexes FR‐Fe , FR‐Ru RL‐Fe RL‐Ru . Investigations on influence binding to DNA/BSA anticancer activity were carried out. All these products structurally characterized by using spectroscopic analytical techniques. Notably, molecular structures both ester‐based Fe(III) complex confirmed single‐crystal X‐ray diffraction analysis. Additionally, theoretical calculations employed further establish synthesized metal complexes, which subsequently utilized for docking studies evaluate potential. results revealed best orientation with lowest possible energy −10.20 kcal/mol BSA −8.30 DNA. Furthermore, interactions all compounds investigated UV–visible absorption (UV) fluorescence spectroscopy (FL). sites constants determined Stern‐Volmer equation. Moreover, cytotoxicity assays performed against lung cancer (A549), liver (Hep G2), normal Vero cell lines, benchmarked cisplatin. ligand exhibited significant cytotoxic action an IC 50 54.51 μM compared related (i.e., 69.86 μM) A549 cells. But displayed 56.19 Hep G2 cells, demonstrating better potency over

Language: Английский

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Synergistic Antiproliferative Activity of Newly Synthesized Benzimidazole-Based Silver(I) Complexes on MCF-7 and T47D Cell Lines, CT-DNA Interactions Supported by Computational Studies

ACS Omega, Journal Year: 2025, Volume and Issue: unknown

Published: March 28, 2025

This article reports the synthesis, characterization, and antitumor properties of newly synthesized benzimidazole-based Ag(I)-(BNHCs) complexes from their proligands. All compounds underwent comprehensive characterization using techniques such as 1H, COSY, 13C NMR, IR spectroscopy, electrospray ionization (ESI)-mass, elemental, single-crystal X-ray diffraction (XRD) analysis. Density functional theory (DFT) studies were carried out to observe electronic effects bound ligands modulate selectivity reactivity silver complexes. Time-dependent DFT (TD-DFT) assessed optical further highlighted by orbital contributions with oscillator strengths. tested against breast cancer MCF-7 T47D cell lines. The synergistic benzimidazole-incorporated aryl constituent structuring also observed. Nearly all have been found be promising anticancer agents added benefit low cytotoxic toward normal cells. Intriguingly, [AgL 4 (Cl)] exhibited best activity among our screened IC50 values for both 9 ± 1.04 11 1.41, respectively. apoptosis mode death was confirmed phosphatidylserine exposure annexin V/PI staining imaging method. CT-DNA interactions most active complex ([AgL (Cl)]) its proligand (HL (Cl)) support compound-DNA interaction. Strong DNA binding affinities (K b) through electrostatic intercalation modes induced structural changes in DNA. Moreover, molecular docking comprehend possible various receptors EGFR (epidermal growth factor receptor), VEGFR2 (vascular endothelial receptors), FGFR (fibroblast SRC (proto-oncogene tyrosine kinase protein) family serves crucial cancer.

Language: Английский

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A comprehensive review on anti-inflammatory, antibacterial, anticancer and antifungal properties of several bivalent transition metal complexes

Bioorganic Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 108422 - 108422

Published: April 1, 2025

Language: Английский

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Elucidating the interactions of endocannabinoid-like neurotransmitters, N-acyltaurines and bovine serum albumin: Spectroscopic and computational approaches

Biochimica et Biophysica Acta (BBA) - Biomembranes, Journal Year: 2025, Volume and Issue: unknown, P. 184421 - 184421

Published: April 1, 2025

Language: Английский

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Catalytic ethylene oligomerization reactions of terpyridine (NNN)-based nickel(II) complexes – Studies on catalytical intermediates

Inorganica Chimica Acta, Journal Year: 2024, Volume and Issue: 571, P. 122210 - 122210

Published: June 18, 2024

Language: Английский

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Novel Ni(II) Complexes as Minor Groove Binders: Crystal Structures, Biomolecular Interactions, Molecular Docking, and Biological Activities

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: 38(12)

Published: Aug. 13, 2024

ABSTRACT A novel ternary Ni(II) complexes, [Ni(5Clsal‐phe)(phen)(H 2 O)] ( 1 ) and [Ni(5Clsal‐phe)(bpy)(H O)]CH 3 OH ), (Schiff base derived from the condensation of L‐phenylalanine 5‐chlorosalicylaldehyde, phen: 1,10‐phenanthroline, bpy: 2,2′‐bipyridine) has been synthesized. The structure complexes was clarified by CHN analysis, FTIR, electronic absorption spectroscopy, ESI‐MS, X‐ray single crystal diffraction methods. In biological activity studies, interactions with calf thymus DNA (CT‐DNA) were examined using fluorescence spectroscopy. results show that could bind to CT‐DNA via a minor groove mode. bovine serum albumin (BSA) investigated spectroscopy techniques, BSA quenching mechanism found. radical scavenging in comparison hederacolchiside, taxifoline, hederasaponin, arachidonoyl dopamine, silychristin used as standard. Molecular docking simulations employed investigate between biomolecules such BSA. revealed insert into at subdomains I IIA. These are facilitated conventional hydrogen bonds, van der Waals forces, alkyl, π‐alkyl interactions.

Language: Английский

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Crystal Structures and Biological Profiles of Novel Tridentate Schiff Bases Nickel (II) Complexes

Applied Organometallic Chemistry, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 5, 2024

ABSTRACT Novel bioactive ternary nickel (II) complexes, [Ni(5BrSal‐Phe)(phen)] ( 1 ) and [Ni(5BrSal‐Tyr)(phen)] 2 (5BrSal‐Tyr: Schiff base derived from 5‐bromosalicylaldehyde L‐tyrosine, 5BrSal‐Phe: L‐phenylalanine, phen: 1,10‐phenanthroline), have been synthesized characterized by electronic absorption spectroscopy, CHN, FTIR, ESI‐MS X‐ray crystallography techniques. Interaction of the complexes with biomolecules (calf thymus DNA (CT‐DNA) bovine serum albumin (BSA)) has investigated fluorescence spectroscopy. The results show that can bind to CT‐DNA via a minor groove binding mode. Moreover, quenching mechanism between BSA is static process. antiproliferative activities against breast cancer cells (MCF‐7 MDA‐MB‐231) healthy epithelial (MCF‐10A) were investigated. complex was found promising activity in selected cell line, lower IC 50 values than cisplatin. Molecular docking studies suggest may serve as potential chemotherapeutic agents. These observed interact various targets within cells, including epidermal growth factor receptor (EGFR), (BSA), B‐DNA. Analyses indicate these interactions are supported not only conventional hydrogen bonds but also van der Waals forces π‐π interactions. Additionally, determining constants regions enhances our understanding how target molecules. emphasize importance therapy highlighting necessity their molecular‐level targets.

Language: Английский

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Highly Lipophilic Terpyridine Ligand as an Efficient Fluorescent Probe for the Selective Detection of Zinc(II) Ions Under Biological Conditions

Analytical Methods, Journal Year: 2024, Volume and Issue: unknown

Published: Nov. 13, 2024

A lipophilic terpyridine containing an ester group at the end of alkyl chain functions as a probe for selective determination Zn 2+ under biological conditions with LODs 106 nM (solution-phase) and 115 (test paper strip).

Language: Английский

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A simple Cu(II)-dppy complex for selective detection of hazardous sulfide anion in water and its application in DNA and BSA binding

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1322, P. 140518 - 140518

Published: Oct. 28, 2024

Language: Английский

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