Unexpected products using Biginelli reaction: Synthesis, antimicrobial potency, docking simulation, and DFT investigations of some new amidopyridines

NA Kheder, AM Fahim, NS Mahmoud… - Journal of Molecular …, 2024 - Elsevier
The Biginelli reaction of 3-oxo-N-(2-pyridyl) butanamide with thiourea (or urea) and some
aromatic aldehydes afforded new chemical skeletons containing tetrahydropyrimidine …

Synthesis and in-silico studies of some new thiazole carboxamide derivatives with theoretical investigation

N A. Kheder, H Ather, D R. Emam… - Polycyclic Aromatic …, 2024 - Taylor & Francis
Based on the tremendous pharmacological activities of compounds containing thiazole and
carboxamide moieties, the current study aims to prepare new series of thiazole, pyrazole …

Chemoselective synthesis, X-ray structure study, Hirshfeld surface analysis, antitumor, and antimicrobial activities of new thiophene and thiazole derivatives

AB Muhsinah, MM Alharbi, NA Kheder… - Journal of Molecular …, 2024 - Elsevier
A base-controlled chemoselective reaction of 1-phenylbutane-1, 3‑dione with PhNCS and 1-
chloropropan-2-one is described. Thiophene derivative 5 is obtained from the reaction in …

Regioselective synthesis of some new pyrazole and isoxazole derivatives incorporating benzothiazole moiety: Experimental and theoretical studies

NA Kheder, H Ather, NS Mahmoud… - Synthetic …, 2023 - Taylor & Francis
Nitrile imine derivative 3 added regioselectively to α-(benzothiazol-2-yl) cinnamonitrile
derivatives 1a–c to afford 5-(benzothiazol-2-yl)-5-cyano-4, 5-dihydro-1 H-pyrazole …

Synthesis and characterization of some new pyridine-carboxamide derivatives of potential biological activities

A M. Farag, N A. Kheder… - Polycyclic Aromatic …, 2024 - Taylor & Francis
A facile synthetic routes to access some new heterocyclic systems containing potent
pharmacophoric groups such as pyrazole, pyrazolo [5, 1-c]-1, 2, 4-triazine, 1, 2, 4-triazino [4 …

Unreported Biginelli product with potent antifungal activity: Synthesis, DFT insights, and docking simulation analysis

NA Kheder, AM Fahim, NS Mahmoud… - Journal of Molecular …, 2025 - Elsevier
The Biginelli reaction is an acid-catalyzed, three-component reaction between β-ketoester,
aldehyde, and urea (or thiourea). It is used to construct a wide array of pyrimidine …

rGO/CuO NC catalyzed green synthesis, DFT studies, Mulliken atomic charge analysis and anti-inflammatory activity of indole derivatives

R Meena, AR Khandelwal, K Sharma, N Khatik… - Journal of …, 2024 - Elsevier
An admirable catalytic activity of as-prepared copper oxide decorated reduced graphene
oxide nanocomposite (rGO/CuO NC) catalyst is reported in the synthesis of spiro [indoline …

New thiazole derivatives: Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and biological evaluations as potential antimicrobial and antitumor agents

AB Muhsinah, MM Alharbi, SM Soliman… - Journal of Molecular …, 2024 - Elsevier
Thiazole ring has a wide range of biological activities which is proven by its presence in
more than eighteen FDA-approved drugs in addition to several compounds that are currently …

Innovative Pyrazole Hybrids: A New Era in Drug Discovery and Synthesis

A Bendi, P Devi, H Sharma, G Yadav… - Chemistry & … - Wiley Online Library
Heterocyclic compounds that include nitrogen and their derivatives have long been
regarded as excellent sources of medicinal substances. Pyrazole is a compound with two …