Exploring the therapeutic potential of acridines: Synthesis, structure, and biological applications DOI
Diego Santa Clara Marques,

Lisandra da Silva Lima,

Josué Filipe de Oliveira Moraes Miranda

et al.

Bioorganic Chemistry, Journal Year: 2024, Volume and Issue: 155, P. 108096 - 108096

Published: Dec. 27, 2024

Language: Английский

Synthesis, characterization, antiproliferative, antibacterial activity, RDG, ELF, LOL Molecular docking and physico chemical properties of novel benzodiazepine derivatives DOI
G. Venkatesh, P. Vennila, Chandramohan Govindasamy

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: 1322, P. 140519 - 140519

Published: Oct. 28, 2024

Language: Английский

Citations

4
Spirooxindole-Pyrrolizidine : Synthesis, Crystal Structure, and Anticancer Activity DOI

K.R. Jeyashri,

G. Logeshwari,

K. Sivakumar

et al.

Polycyclic aromatic compounds, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 34

Published: Jan. 28, 2025

Language: Английский

Citations

0
Synthesis and characterization of fluorenone derivatives with electrical properties explored using density functional theory (DFT) DOI Creative Commons
Muhammad Umar Farooq,

Malaika Muneer,

Ali Shahid

et al.

Scientific Reports, Journal Year: 2024, Volume and Issue: 14(1)

Published: Nov. 22, 2024

This study provides thorough computational and experimental assessments of four types novel synthesized thiosemicarbazones. The compounds were effectively using a condensation reaction between thiosemicarbazide fluorenone, producing remarkable range 70–88%. Additional chemical structures examined utilizing spectroscopic methods, including Fourier-transform infrared spectroscopy (FTIR), NMR spectroscopy, ultraviolet-visible spectroscopy. analyses utilized DFT the M06/6-311G (d, p) technique. electrical characteristics, stability orbitals via energy exchange donor acceptor, can be evaluated by natural bond orbital (NBO) analysis. nonlinear optical (NLO) properties analyzed to detect any prohibited gaps. FTIR UV-visible data computed identical M06/6–311G level theory. NBO test has confirmed occurrence charge separation due efficient transfer electrons from acceptor unit over π bridge. molecular softness hardness are dependable indications molecule's stability. A significant magnitude absolute value polarizability hyper-polarizability indicates considerable dispersion electric charge. outcomes derived Density Functional Theory (DFT) generally align well with findings.

Language: Английский

Citations

1
Synthesis, structural elucidation, ion flotation and biological evaluation of Ni(II) and Zn(II) Complexes featuring a heterocyclic thiosemicarbazide ligand with their computational studies DOI
Mohamed Gaber, Marwa N. El‐Nahass,

Yasmen A. Elnadry

et al.

Journal of Molecular Structure, Journal Year: 2024, Volume and Issue: unknown, P. 141018 - 141018

Published: Dec. 1, 2024

Language: Английский

Citations

0
Exploring the therapeutic potential of acridines: Synthesis, structure, and biological applications DOI
Diego Santa Clara Marques,

Lisandra da Silva Lima,

Josué Filipe de Oliveira Moraes Miranda

et al.

Bioorganic Chemistry, Journal Year: 2024, Volume and Issue: 155, P. 108096 - 108096

Published: Dec. 27, 2024

Language: Английский

Citations

0