Synthesis, X-ray structure, vibrational spectroscopy, DFT, biological evaluation and molecular docking studies of (E)-N'-(4-(dimethylamino) benzylidene)-5-methyl-1H …

K Karrouchi, SA Brandán, Y Sert, H El-Marzouqi… - Journal of Molecular …, 2020 - Elsevier
Abstract New crystal,(E)-N'-(4-(dimethylamino) benzylidene)-5-methyl-1H-pyrazole-3-
carbohydrazide (3) has been synthesized and characterized by FT-IR, NMR, ESI-MS and …

Synthesis, structural, molecular docking and spectroscopic studies of (E)-N'-(4-methoxybenzylidene)-5-methyl-1H-pyrazole-3-carbohydrazide

K Karrouchi, SA Brandán, Y Sert, M El Karbane… - Journal of Molecular …, 2021 - Elsevier
Abstract (E)-N'-4-methoxybenzylidene-5-methyl-1H-pyrazole-3-carbohydrazide (E-MBPC)
has been synthesized and characterized by FT-IR, 1 H & 13 C NMR and ESI-MS …

New pyrazole derivatives as effective corrosion inhibitors on steel-electrolyte interface in 1 M HCl: Electrochemical, surface morphological (SEM) and computational …

S El Arrouji, K Karrouchi, A Berisha, KI Alaoui… - Colloids and Surfaces A …, 2020 - Elsevier
Corrosion inhibition is a vast area of research and its development is attracting increasing
attention from researchers. Given the different biological activities that present these …

New thiazole, pyridine and pyrazole derivatives as antioxidant candidates: synthesis, DFT calculations and molecular docking study

Y Kaddouri, F Abrigach, EB Yousfi, M El Kodadi… - Heliyon, 2020 - cell.com
Novel heterocyclic compounds containing pyrazole, thiazole and pyridine moieties were
designed and prepared based on the condensation reaction between 1, 3-thiazole or …

Co (ii) and Zn (ii) pyrazolyl-benzimidazole complexes with remarkable antibacterial activity

K Chkirate, K Karrouchi, N Dege, NK Sebbar… - New Journal of …, 2020 - pubs.rsc.org
Three mononuclear coordination complexes of 1-butyl-2-((5-methyl-1H-pyrazol-3-yl) methyl)-
1H-benzimidazole (L), namely [CoL] Cl2 (C1),[Co2L2] Cl2· H2O (C2) and [Zn2L2] Cl2 (C3) …

Synthesis, crystal structure, DFT, α-glucosidase and α-amylase inhibition and molecular docking studies of (E)-N'-(4-chlorobenzylidene)-5-phenyl-1H-pyrazole-3 …

K Karrouchi, S Fettach, B Tüzün, S Radi… - Journal of Molecular …, 2021 - Elsevier
In this work, a novel crystal ie (E)-N'-(4-chlorobenzylidene)-5-phenyl-1H-pyrazole-3-
carbohydrazide has been synthesized and characterized using various spectroscopic …

Synthesis, crystal structure, spectroscopic studies, NBO, AIM and SQMFF calculations of new pyridazinone derivative

F El Kalai, K Karrouchi, C Baydere, S Daoui… - Journal of Molecular …, 2021 - Elsevier
A new pyridazinone derivative,(E)-ethyl 2-(5-(4-methylbenzyl)-6-oxo-3-styrylpyridazin-1 (6H)-
yl) acetate (2) has been synthesized and characterized by FT-IR, 1 H-and 13 C-NMR, ESI …

Synthesis, crystal structure, hirshfeld surface analysis, DFT calculations, anti-diabetic activity and molecular docking studies of (E)-N'-(5-bromo-2-hydroxybenzylidene) …

K Karrouchi, S Fettach, MM Jotani, A Sagaama… - Journal of Molecular …, 2020 - Elsevier
In this present work, the newly synthesized compound E)-N'-(5-bromo-2-
hydroxybenzylidene) isonicotinohydrazide (2) has been synthesized and characterized by …

Synthesis, spectroscopic characterization, reactive properties by DFT calculations, molecular dynamics simulations and biological evaluation of Schiff bases tethered …

RR Pillai, K Karrouchi, S Fettach, S Armaković… - Journal of Molecular …, 2019 - Elsevier
The synthesis, spectroscopic characterization, reactivity study and evaluation of antioxidant
and α-glucosidase inhibitory activities of two Schiff bases containing 1, 2, 4-triazole and …

Synthesis, spectroscopy, crystal structure, TGA/DTA study, DFT and molecular docking investigations of (E)-4-(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one

F El Kalai, EB Çınar, CH Lai, S Daoui, T Chelfi… - Journal of Molecular …, 2021 - Elsevier
In this study, we present the synthesis of novel pyridazin-3 (2H)-one derivative namely (E)-4-
(4-methylbenzyl)-6-styrylpyridazin-3 (2H)-one (MBSP). The chemical structure of MBSP was …