[HTML][HTML] Development of Novel Nano-Sized Imine Complexes Using Coriandrum sativum Extract: Structural Elucidation, Non-Isothermal Kinetic Study, Theoretical …

S Hosny, RFA El-Baki, ZHA El-Wahab… - International Journal of …, 2023‏ - mdpi.com
A new Schiff base (H2L) generated from sulfamethazine (SMT), as well as its novel micro-
and nanocomplexes with Ni (II) and Cd (II) metal ions, have been synthesized. The …

Computational investigations of three main drugs and their comparison with synthesized compounds as potent inhibitors of SARS-CoV-2 main protease (Mpro): DFT …

RK Mohapatra, L Perekhoda, M Azam… - Journal of King …, 2020‏ - pmc.ncbi.nlm.nih.gov
In this study, we examined five previously synthesized compounds and checked their
binding affinity towards the SARS-CoV-2 main protease (Mpro) by molecular docking study …

[HTML][HTML] In silico studies on phytochemicals to combat the emerging COVID-19 infection

M Abdalla, RK Mohapatra, AK Sarangi… - Journal of Saudi …, 2021‏ - Elsevier
The current COVID-19 pandemic, caused by the severe acute respiratory syndrome
coronavirus-2 (SARS-CoV-2) and its variants, remains a serious health hazard globally. The …

Mechanistic insight into the synergistic role of the dual-surfactant system as a green solvent for deoximation reaction: An experimental and computational analysis

S De, MS Alsaeedi, D Das - Journal of Molecular Liquids, 2024‏ - Elsevier
Deoximation reaction is one of the most essential transformations in organic synthesis for
the precise chemical manufacturing of carbonyl compounds. Develo** catalytic …

Ring opening ring closure reactions with 5, 9-diethyl-7-(chromon-3-yl)-7-hydroquinolino [3′, 4′: 5, 6] pyrano [3, 2-c] quinoline-6, 8 (5H, 9H)-dione with some 1, 2 …

AS Badran, A Ahmed, AI Nabeel, MA Ibrahim - Journal of Molecular …, 2024‏ - Elsevier
The chemical behaviour of electron deficient substrate 1 was investigated with some 1, 2-bi-
nucleophilic reagents. Reaction of substrate 1 with hydrazine derivatives namely hydrazine …

DFT, anticancer, antioxidant and molecular docking investigations of some ternary Ni (II) complexes with 2-[(E)-[4-(dimethylamino) phenyl] methyleneamino] phenol

RK Mohapatra, MM El-ajaily, FS Alassbaly, AK Sarangi… - Chemical Papers, 2021‏ - Springer
The biological activities of some ternary nickel complexes with a Schiff base obtained from 4-
dimethylaminobenzaldehyde and 2-aminophenol have been reported. The Schiff base (HL …

Synthesis, spectral, magnetic, DFT calculations, antimicrobial studies and phenoxazinone synthase biomimetic catalytic activity of new binary and ternary Cu (II), Ni (II) …

M Shebl, AA Saleh, SME Khalil, M Dawy… - Inorganic and Nano …, 2020‏ - Taylor & Francis
New mononuclear copper (II), nickel (II) and cobalt (II) hydrazone complexes of 2-cyano-N′-
((4-oxo-4H-chromen-3-yl) methylene) acetohydrazide have been synthesized. Structure …

Novel thiosemicarbazone complexes as anticancer agents: Synthesis, characterization, cytotoxicity, docking, and density functional theory studies

AAM Ali, R Fouad - Applied Organometallic Chemistry, 2024‏ - Wiley Online Library
New Co (II), Ni (II), and Cu (II) complexes based on ρ‐dimethylaminobenzaldehyde
thiosemicarbazone (DABT) as chelating agents were synthesized. The structure of the three …

Synthesis, characterization, DFT and biological studies of isatinpicolinohydrazone and its Zn (II), Cd (II) and Hg (II) complexes

OA El-Gammal, TH Rakha, HM Metwally… - … Acta Part A: Molecular …, 2014‏ - Elsevier
Isatinpicolinohydrazone (H 2 IPH) and its Zn (II), Cd (II) and Hg (II) complexes have been
synthesized and investigated using physicochemical techniques viz. IR, 1 H NMR, 13 C …

A theoretical and experimental study on isonitrosoacetophenone nicotinoyl hydrazone: Crystal structure, spectroscopic properties, NBO, NPA and NLMO analyses and …

A Zülfikaroğlu, H Batı, N Dege - Journal of Molecular Structure, 2018‏ - Elsevier
A new hydrazone oxime compound, isonitrosoacetophenone nicotinoyl hydrazone (inapNH
2), was synthesized and characterized by spectroscopic techniques (FT-IR, 1 H-NMR and 13 …