Synthesis, DFT investigation, molecular docking analysis, ADMET studies, and biological evaluation of a novel series of imidazolidinone derivatives as potential …

AI Khodair, DR Imam, NA Kheder, AM Fahim… - Journal of Molecular …, 2025‏ - Elsevier
In this study, we constructed twenty novel imidazolidinone derivatives via the reaction of 2-
(methylthio)-3, 5-dihydro-4H-imidazol-4-one derivatives (1a-c) with some active methylene …

3-Allyl-2-(allylthio)-5, 5-diphenyl-3, 5-dihydro-4H-imidazol-4-one: Synthesis, spectroscopic characterization, crystal structure, computational investigations …

AEMA Allah, E Temel, W Guerrab, I Nchioua… - Journal of Molecular …, 2024‏ - Elsevier
In this investigation, we successfully synthesized a novel thiohydantoin derivative, 3-allyl-2-
(allylthio)-5, 5-diphenyl-3, 5-dihydro-4H-imidazol-4-one (AM 1). The compound underwent …

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 …

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 …

[HTML][HTML] Structural activity of synthesized pyrimidine-thiophene and pyrimidine-thiadiazole conjugates as anticancer agents

A Mogadem, A Bayazeed, AF Alrefaei, SA Alqarni… - Results in …, 2024‏ - Elsevier
New pyrimidine linked thiophene conjugates 5a-d and thiadiazole conjugates 7a-d through
a carboxamide bridge were synthesized and characterized by the spectral data (IR, NMR …

Structural and antimicrobial activity studies of brand new benzothiazole-pyrazole conjugates

A Bayazeed, H Alharbi, AI Alalawy… - Journal of Molecular …, 2025‏ - Elsevier
The targeted benzothiazole-pyrazole conjugates 4, 6, 8, 9, and 10 were synthesized through
introducing the pyrazole moiety to the precursor 2-acetamido-6-(2-cyanoacetyl) …

DFT Study on Bucherer–Bergs multicomponent synthesis of hydantoins

SP Helmi, M Nikpassand, LZ Fekri - Molecular Simulation, 2024‏ - Taylor & Francis
ABSTRACT The Bucherer–Bergs multicomponent synthesis of hydantoins has been
meticulously examined using density functional theory (DFT) at the B3LYP/6-311G level to …

Enantiodifferentiation of Thiohydantoin Derivatives by NMR in the Presence of Chiral Solvating Agent: (1R,2S)‐Ephedrine and Chiral Symmetrical and …

S Sarigul Ozbek, S Teke Tuncel, S Erol Gunal… - Chirality, 2025‏ - Wiley Online Library
Thiohydantoin derivatives, including different substitutions at N‐1 and C‐5 (5‐methyl‐, 5‐
isopropyl‐, 1‐acetyl‐5‐methyl‐, and 1‐acetyl‐5‐isopropyl‐)(1–4, respectively), were …

[PDF][PDF] ACID IONIZATION CONSTANT OF POTENTIAL BIOACTIVE FUNCTIONALIZED N BENZOYLTHIOUREA/2-THIOHYDANTOIN-PYRROLIDINE DERIVATIVES BY …

S Poyraz, H DÖNDAŞ, S Belveren… - Revue Roumaine de …, 2024‏ - revroum.lew.ro
The acid ionization constants (pKa) of the N-benzoylthiourea/2-thiohydantoin-pyrrolidines
were determined by the potentiometric titration method. Titrations were performed by adding …

[PDF][PDF] Results in Chemistry

A Mogadem, A Bayazeed, AF Alrefaei, SA Alqarni…‏ - researchgate.net
New pyrimidine linked thiophene conjugates 5a-d and thiadiazole conjugates 7a-d through
a carboxamide bridge were synthesized and characterized by the spectral data (IR, NMR …