Design, spectroscopic characterization, DFT, molecular docking, and different applications: Anti-corrosion and antioxidant of novel metal complexes derived from …

FN Sayed, AM Ashmawy, SM Saad, MM Omar… - Journal of …, 2023 - Elsevier
A new tridentate Schiff base ligand derived from ofloxacin (oflo) with 2-aminophenol was
synthesized and a series of d-transition metal complexes were prepared. The ligand and its …

Synthesis, crystal structure, antibacterial and In vitro anticancer activity of novel macroacyclic Schiff bases and their Cu (II) complexes derived from S-methyl and S …

MKB Break, TY Fung, MZ Koh, WY Ho, MIM Tahir… - Molecules, 2023 - mdpi.com
A series of novel macroacyclic Schiff base ligands and their Cu (II) complexes were
synthesised via reacting dicarbonyls of varying chain lengths with S-methyl dithiocarbazate …

Deciphering non-covalent interactions in unprecedented binuclear copper complex: spectroscopic, Hirshfeld surface and DFT investigation

SK Yilmaz, AA Agar, EB Cinar, N Dege… - Journal of Molecular …, 2024 - Elsevier
Binuclear Cu (II) complex derived from taurine and 2‑hydroxy-4-methoxybenzaldehyde
adduct was synthesised and characterised by X-ray crystallography, spectroscopic …

An eco friendly approach for the development of a dipeptide based anti-TB drug nanocomposites: A greener approach in drug delivery system for pulmonary delivery

U Nagarajan, SV Kanth, S Natarajan - Sustainable Materials and …, 2024 - Elsevier
The conventional anti tubercular (anti-TB) treatment strategies constitute challenges in terms
of patient compliance and treatment outcomes. Nano-therapeutics is an emerging field with …

Synthesis, characterization of Schiff base and its metal complexes and investigation of their electronic and photonic properties

N Turan, H Seymen, B Gündüz, K Buldurun, N Çolak - Optical Materials, 2024 - Elsevier
A novel Schiff base (L) and its Pd (II) and Pt (II) complexes were synthesized. The Schiff
base was prepared by condensation of 6-tert-butyl 3-ethyl 2-amino-4, 5-dihydrothieno [2, 3 …

Crystal architecture, DFT and Hirshfeld surface analysis of novel 'double open-end spanner'type dimer derived from 4-aminoantipyrine

VGV Kumar, VG Vidya - Journal of Molecular Structure, 2022 - Elsevier
A novel synthetic route where 4-aminoantipyrine dimerizes through an azo group with the
introduction of a new pyrazole ring to obtain (E)-6-((1, 5-dimethyl-3-oxo-2-phenyl-2, 3 …

[HTML][HTML] Single crystal XRD and DFT investigation of 1, 5-dimethyl-4-[(2-oxo-1, 2-diphenylethylidene) amino]-2-phenyl-1, 2-dihydro-3H-pyrazol-3-one

SA Raj, VG Vidya, V Preethi, VGV Kumar - Results in Chemistry, 2022 - Elsevier
Abstract The single crystal 1, 5-dimethyl-4-[(2-oxo-1, 2-diphenylethylidene) amine]-2-phenyl-
1, 2-dihydro-3H-pyrazol-3-one [DDAPDP] was designed to enhance luminescence property …

Design, characterization, and different applications of naphthoquinone‐based Schiff base and its M (II/III) complexes with molecular modeling studies

MGA Saleh, FM Alminderej… - Applied …, 2024 - Wiley Online Library
Due to the significant pharmacophoric role of 1, 4‐naphthoquinone moiety, which is found in
numerous biologically active natural products and well‐known chemotherapeutic drugs …

Synthesis, characterization, DFT studies and evaluation of the potential anti-tumour activity of nicotinic hydrazide based Schiff base using in vitro and molecular …

V Preethi, VG Vijukumar, S AnilaRaj, VG Vidya - Heliyon, 2024 - cell.com
Breast cancer, one of the most serious issues worldwide, has been raising day by day. It has
now become a necessary to develop a suitable drug to combat this terrible illness. Schiff …

2-(((2, 4-Dichlorophenyl) imino) methyl)-3, 4-difluorophenol: X-ray, DFT, MEP, HOMO-LUMO, NLO, Hirshfeld Surfaces, ADMET Profiling, Target Identification …

S Şahin - Gazi University Journal of Science, 2024 - dergipark.org.tr
Halogenated compounds, especially fluorine and chlorine, play a key role in drug
development. They account for a large proportion of all approved drug molecules. The …