Decoding the intermolecular recognition mode of a potent anticancer drug, abiraterone with human serum albumin: Assessments through spectroscopic and computational techniques

Journal of Molecular Structure, Год журнала: 2024, Номер 1302, С. 137509 - 137509

Опубликована: Янв. 5, 2024

Язык: Английский

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The influence of near-infrared carbon dots on the conformational variation and enzymatic activity of glucose oxidase: A multi-spectroscopic and biochemical study with molecular docking

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 273, С. 133198 - 133198

Опубликована: Июнь 16, 2024

Язык: Английский

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Diacetyl Monoxime‐Based N∩N Donor Schiff Base and Its Zn(II) Complexes. In Vitro and In Silico Analysis

Applied Organometallic Chemistry, Год журнала: 2024, Номер 39(1)

Опубликована: Окт. 3, 2024

ABSTRACT Schiff bases are introduced as versatile pharmacophores for the design and development of various bioactive compounds. Oxime‐based base ligands form an important flexible class that have attracted attention due to their wide applications in fields. Here, novel 3‐(2‐hydroxyphenyl‐imino)butan‐2‐one oxime, ( HPIO ) Zn(II) complexes derived from it, [Zn(bpy)(HPIO)](NO 3 2 , C1 (bpy = 2,2′‐bipyridine) [Zn(HPIO) ]Cl C2 were synthesized characterized. Theoretical studies showed both reactive high pharmacological affinity. Experimental investigations done compare some biological properties complexes. Antioxidant using ·DPPH (2,2‐diphenyl‐1‐picrylhydrazyl) assay presented following trend: > . Considering importance antioxidant enzyme catalase removing oxygen species (ROS), binding process / with was evaluated. Kinetic can inhibit catalytic performance by mixed‐type inhibition mechanism. The quenched fluorescence emission static quenching affinity higher than K b 1.51 0.89 × 10 5 M −1 respectively at 305 K). In interaction catalase, which exothermic spontaneous process, hydrogen bonds, van der Waals forces, hydrophobic interactions played a decisive role strongly confirmed molecular docking data. Tracking structural changes undergoes presence

Язык: Английский

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Typical endocrine disruptors diethylstilbestrol and its analogues non-covalently bind to human serum albumin

Journal of Molecular Structure, Год журнала: 2024, Номер 1311, С. 138409 - 138409

Опубликована: Апрель 19, 2024

Язык: Английский

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DNA binding/cleavage study of mixed ligand complexes of di-/triorganotin 4-fluroanthranilates with 1,10-phenanthroline/benzimidazole: Synthesis, characterization, X-ray structures of [Bu2Sn(FA)2.phen], [Me3Sn(FA).bz], and DFT calculations

Inorganica Chimica Acta, Год журнала: 2024, Номер 572, С. 122253 - 122253

Опубликована: Июль 17, 2024

Язык: Английский

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The interaction mechanisms of tetrahydrocurcumin on alcohol dehydrogenase: Insights from enzymatic activity assays, spectroscopic methods and computational techniques

Journal of Molecular Liquids, Год журнала: 2024, Номер 410, С. 125626 - 125626

Опубликована: Июль 24, 2024

Язык: Английский

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Unraveling the impact of tungsten disulfide quantum dots on human serum albumin conformational dynamics and fibrillation pathways: An integrated multi-spectroscopic, biochemical, and molecular docking investigation

International Journal of Biological Macromolecules, Год журнала: 2024, Номер 282, С. 136917 - 136917

Опубликована: Окт. 28, 2024

Язык: Английский

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Investigation of the interaction mechanism and enzyme activity of trypsin with cerium oxide nanoparticles

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, Год журнала: 2024, Номер 325, С. 125156 - 125156

Опубликована: Сен. 17, 2024

Язык: Английский

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The effect of electron-withdrawing groups on the binding properties of bisphenol A to DNA: Insights from multi-spectral, electrochemical, and molecular docking

Journal of Molecular Structure, Год журнала: 2024, Номер 1322, С. 140714 - 140714

Опубликована: Ноя. 15, 2024

Язык: Английский

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