A biochemistry‐oriented drug design: synthesis, anticancer activity, enzymes inhibition, molecular docking studies of novel 1, 2, 4-triazole derivatives

K Yuriy, G Kusdemir, P Volodymyr… - Journal of …, 2024 - Taylor & Francis
In this study, we researched the reactions of 5-(5-bromofuran-2-yl)-4-methyl-1, 2, 4-triazole-3-
thiol and 5-thiophene-(3-ylmethyl)-4R-1, 2, 4-triazole-3-thiols with some halogen-containing …

Benzotriazole-oxadiazole hybrid Compounds: Synthesis, anticancer Activity, molecular docking and ADME profiling studies

A Mermer, MV Bulbul, SM Kalender, I Keskin… - Journal of Molecular …, 2022 - Elsevier
Herein the designed novel benzotriazole-oxadiazole hybrid compounds were synthesized
using both conventional method and ultrasound sonication (US) as an environmentally …

Synthesis, characterization and bioactivity of novel 8-hydroxyquinoline derivatives: Experimental, molecular docking, DFT and POM analyses

M Rbaa, S Haida, B Tuzun, A El Hassane… - Journal of Molecular …, 2022 - Elsevier
In this present research work, new 8-hydroxyquinoline derivatives were synthesized and
their molecular structures were confirmed by the 1 H NMR, 13 C NMR, IR and elemental …

Design, syntheses, theoretical calculations, MM-GBSA, potential anti-cancer and enzyme activities of novel Schiff base compounds

H Yalazan, D Koç, F Aydın Kose… - Journal of …, 2024 - Taylor & Francis
In this study, new Schiff base compounds (SB-F-OH, SB-Cl-OH and SB-Br-OH) were derived
from chalcone-derived amine compounds containing halogen groups and 4 …

Synthesis, characterization, molecular modeling against EGFR target and ADME/T analysis of novel purine derivatives of sulfonamides

MA Bhat, B Tüzün, NA Alsaif, AA Khan… - Journal of Molecular …, 2022 - Elsevier
A novel series of purine derivatives containing sulfonamide moiety were synthesized in
good yield by the single-step reaction method. The purity of compounds was determined by …

Synthesis, spectroscopic characterization, antibacterial activity, and computational studies of novel pyridazinone derivatives

S Daoui, Ş Direkel, MM Ibrahim, B Tüzün, T Chelfi… - Molecules, 2023 - mdpi.com
In this work, a novel series of pyridazinone derivatives (3–17) were synthesized and
characterized by NMR (1H and 13C), FT-IR spectroscopies, and ESI-MS methods. All …

Crystal structure and Hirshfeld surface analysis of 5-amino-5′-bromo-2′-oxo-2, 3-dihydro-1H-spiro [imidazo [1, 2-a] pyridine-7, 3′-indoline]-6, 8-dicarbonitrile …

FN Naghiyev, VN Khrustalev, AP Novikov… - Structure …, 2022 - journals.iucr.org
In the title compound, C16H11BrN6O· 2C2H6OS, the 1, 2, 3, 7-tetrahydroimidazo [1, 2-a]
pyridine ring system and the oxindole moiety are both nearly planar [maximum deviations …

Improvement of photochemical and enzyme inhibition properties of new BODIPY compound by conjugation with cisplatin

CC Karanlık, G Karanlık, P Taslimi, A Erdoğmuş - Polyhedron, 2022 - Elsevier
In this study, new BODIPY complexes were synthesized, characterized and investigated for
their some metabolic enzyme inhibition and photophysicochemical properties. BODIPY …

The Evaluation of Anticancer, Antioxidant, Antidiabetic and Anticholinergic Potentials of Endemic Rhabdosciadium microcalycinum Supported by Molecular Docking …

MK Erdogan, R Gundogdu, Y Yapar… - …, 2022 - Wiley Online Library
Lung cancer is the most common cancer worldwide and the leading cause of cancer‐related
death. Plant‐derived natural products and compounds are an inspiring source of …

[PDF][PDF] Crystal structure and Hirshfeld surface analysis of 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate

AN Khalilov, VN Khrustalev, TA Tereshina… - Acta …, 2022 - journals.iucr.org
The title compound, 2C16H27NO· H2O, crystallizes in the monoclinic P21/c space group
with two independent molecules (A and B) in the asymmetric unit. In the crystal, molecules A …