Synthesis, structural and theoretical studies, and biological evaluation of a nickel(II) complex derived from N4-tetradentate 1,2,4-triazole-derived ligand as potential anti-Alzheimer's agent DOI

Yevgen V. Herasymenko,

Maxym O. Plutenko, Dmytro M. Khomenko

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140121 - 140121

Опубликована: Сен. 1, 2024

Язык: Английский

Acetylcholine and Butyrylcholine Esterase Inhibitory Potential of Newly Synthesized Halogenated Compounds: In Vitro, In Silico and MD Simulation DOI
Semanur Yeşilbağ, Muhammad Asam Raza,

Zeshan Ali Sandhu

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 139972 - 139972

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

2

Crystal structure, Hirshfeld surface analysis, and computational study of tin (IV) complex: Insights from spectroscopic, anticancer and cytotoxic properties DOI Creative Commons

C. Bhaskar,

N. Elangovan,

S. Sowrirajan

и другие.

Results in Chemistry, Год журнала: 2023, Номер 6, С. 101036 - 101036

Опубликована: Июль 20, 2023

The complex di(p-methylbenzyl) (dibromo)(4,7-diphenyl-1,10-phenanthroline) tin (IV) (B1) was synthesized and characterized. For the theoretical investigation, we used DFT. With help of Multiwfn software package, topological analysis RDG were calculated. A very low energy gap (2.3 eV) observed in HOMO-LUMO analysis. Nucleophilic electrophilic attacking sites are confirmed using MEP study. In a single crystal, octahedral shape monoclinic space group. intramolecular hydrogen formed through C—H—Br. atom is uniform shape, which can be seen XRD B1. Vero Hela cell lines for anticancer cytotoxic activities. Our shows better activity against when compared to cisplatin.

Язык: Английский

Процитировано

6

Spectroscopic study and molecular simulation: Bovine serum albumin binding with anticancer Pt complex of amyl dithiocarbamate ligand DOI Creative Commons

Zahra Arabpour Shiraz,

Nasrin Sohrabi, Mahboube Eslami Moghadam

и другие.

Heliyon, Год журнала: 2023, Номер 9(9), С. e20090 - e20090

Опубликована: Сен. 1, 2023

Until now, many methods have been proposed to treat cancer, such as radiation therapy and drug therapy, but none of them caused a complete cure for cancer. Heavy metal complexes cisplatin are among the compounds used drugs in chemotherapy against cancer cells. These cause cell death anti-cancer properties, they side effects. The biochemical mechanism is related its interaction with DNA through covalent binding. To reduce toxicity metallodrugs, new can be designed containing S, S- bidentate ligands diethyldithiocarbamate. Moreover, probably interact proteins, HSA, before passing cancerous membrane target. So, function proteins their stabilities expected change. In this research, mode binding [Pt (bpy) (amyl.dtc)]NO3 complex BSA was evaluated by various thermodynamic methods. Negative enthalpy entropy changes amounts show that connection between Platinum compound occurs via van Der Waals type hydrogen bond. negative Gibbs free energy change obtained isothermal titration, which showed proceeds spontaneously. emission titration data protein fluorescence quenching platinum agent static. Binding, constants, site number were Stern-Volmer equation, only one determined interaction. A Scatchard plot positive slope shows Pt agent-BSA formation proceeding positively cooperative. kinetic study displayed absorption monitoring followed second-order model. Finally, molecular docking simulation position on placed I under region II.

Язык: Английский

Процитировано

5

Linear and nonlinear properties of Violerythrin and the quinoid carotenoid isorenieratene-3,3′-dione DOI

Sakshi Maan,

Nancy Vashishth,

Suryapratap J. Sharma

и другие.

Journal of the Indian Chemical Society, Год журнала: 2024, Номер 101(5), С. 101149 - 101149

Опубликована: Апрель 1, 2024

Язык: Английский

Процитировано

1

Synthesis, structural and theoretical studies, and biological evaluation of a nickel(II) complex derived from N4-tetradentate 1,2,4-triazole-derived ligand as potential anti-Alzheimer's agent DOI

Yevgen V. Herasymenko,

Maxym O. Plutenko, Dmytro M. Khomenko

и другие.

Journal of Molecular Structure, Год журнала: 2024, Номер unknown, С. 140121 - 140121

Опубликована: Сен. 1, 2024

Язык: Английский

Процитировано

1