Design, synthesis, biological evaluation, molecular docking, DFT calculations and in silico ADME analysis of (benz) imidazole-hydrazone derivatives as promising …

IA Khodja, H Boulebd, C Bensouici… - Journal of Molecular …, 2020 - Elsevier
Ten hydrazone derivatives bearing a (benz) imidazole nucleus were designed, synthesized
and evaluated for their antioxidant, antifungal, and anti-acetylcholinesterase activities. All …

Synthesis, biological evaluation, theoretical investigations, docking study and ADME parameters of some 1, 4-bisphenylhydrazone derivatives as potent antioxidant …

I Amine Khodja, H Boulebd - Molecular Diversity, 2021 - Springer
Abstract Five 1, 4-bisphenylhydrazone derivatives (1–5) were successfully synthesized and
evaluated for their antioxidant and acetylcholinesterase inhibitory activities. The antioxidant …

Synthesis, spectroscopic, computational (DFT/B3LYP), AChE inhibition and antioxidant studies of imidazole derivative

F Ahmad, MJ Alam, M Alam, S Azaz, M Parveen… - Journal of Molecular …, 2018 - Elsevier
The present study reports the synthesis and evaluation of biological properties of 3a, 8a-
dihydroxy-8-oxo-1, 3, 3a, 8a-tetrahydroindeno [1, 2-d] imidazol-2 (1H)-iminium chloride (3) …

Design, synthesis, mechanistic studies and in silico ADME predictions of benzimidazole derivatives as novel antifungal agents

MM Morcoss, MN El Shimaa, RA Ibrahem… - Bioorganic …, 2020 - Elsevier
Herein, novel three series of benzimidazole scaffold bearing hydrazone, 1, 2, 4-triazole and
1, 3, 4-oxadiazole moieties 1-3, 4a-j, 6a-c and 7 derivatives were designed, synthesized and …

Benzimidazole-hydrazone derivatives: Synthesis, in vitro anticancer, antimicrobial, antioxidant activities, in silico DFT and ADMET studies

A IŞIK, U Acar Çevik, İ Çelik… - Journal of …, 2022 - avesis.cumhuriyet.edu.tr
Based on the biologically active heterocycle compounds, a series of new benzimidazole-
hydrazone derivatives (3a-3j) were synthesized, starting from 4-(6-chloro-1H-benzimidazol …

Synthesis, antioxidant, antifungal, molecular docking and ADMET studies of some thiazolyl hydrazones

S Kauthale, S Tekale, M Damale, J Sangshetti… - Bioorganic & Medicinal …, 2017 - Elsevier
Some thiazolyl hydrazones were synthesized by one pot reaction of thiophene-2-
carbaldehyde or 2, 4-dichlorobenzaldehyde, thiosemicarbazide and various phenacyl …

Eco-friendly synthesis, structural elucidation, computational investigation and in vitro antioxidant activity of a new N-tosylated benzimidazole derivative

AI Almansour, N Arumugam, SM Soliman… - Journal of Molecular …, 2024 - Elsevier
Abstract Synthesis of 2-(diethoxymethyl)-1-tosyl-1H-benzo [d] imidazole 5 in excellent yield
was achieved from 2-(1-ethoxypropyl)-1H-benzo [d] imidazole by ionic liquid supported eco …

Synthesis, DFT Analysis, and Evaluation of Antibacterial and Antioxidant Activities of Sulfathiazole Derivatives Combined with In Silico Molecular Docking and …

Y Samuel, A Garg, E Mulugeta - Biochemistry Research …, 2021 - Wiley Online Library
Synthetic modifications of sulfathiazole derivatives become an interesting approach to
enhance their biological properties in line with their applications. As a result, sulfathiazole …

Design, synthesis and in silico study of pyridine based 1, 3, 4-oxadiazole embedded hydrazinecarbothioamide derivatives as potent anti-tubercular agent

AN Ambhore, SS Kamble, SN Kadam… - … biology and chemistry, 2019 - Elsevier
Abstract Development of novel, safe and effective drug candidates combating the emerging
drug resistance has remained a major focus in the mainstream of anti-tuberculosis research …

Synthesis, molecular modeling, quantum mechanical calculations and ADME estimation studies of benzimidazole-oxadiazole derivatives as potent antifungal agents

UA Çevik, I Celik, A Işık, RR Pillai, TE Tallei… - Journal of Molecular …, 2022 - Elsevier
In this study, a series of new 3-((5-(4-(5-substitue-1H-benz [d] imidazol-2-yl) phenyl)-1, 3, 4-
oxadiazol-2-yl) thio)-1-phenyl propane-1-on (4a-4d) derivatives has been designed and …