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 …
1, 3, 4-oxadiazole moieties 1-3, 4a-j, 6a-c and 7 derivatives were designed, synthesized and …
Synthesis, molecular modeling, quantum mechanical calculations and ADME estimation studies of benzimidazole-oxadiazole derivatives as potent antifungal agents
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 …
oxadiazol-2-yl) thio)-1-phenyl propane-1-on (4a-4d) derivatives has been designed and …
Design, synthesis, bio-evaluation, and in silico studies of some N-substituted 6-(chloro/nitro)-1 H-benzimidazole derivatives as antimicrobial and anticancer agents
A new series of 6-substituted 1H-benzimidazole derivatives were synthesized by reacting
various substituted aromatic aldehydes with 4-nitro-o-phenylenediamine and 4-chloro-o …
various substituted aromatic aldehydes with 4-nitro-o-phenylenediamine and 4-chloro-o …
Design, synthesis, biological evaluation, molecular docking, DFT calculations and in silico ADME analysis of (benz) imidazole-hydrazone derivatives as promising …
Ten hydrazone derivatives bearing a (benz) imidazole nucleus were designed, synthesized
and evaluated for their antioxidant, antifungal, and anti-acetylcholinesterase activities. All …
and evaluated for their antioxidant, antifungal, and anti-acetylcholinesterase activities. All …
Eco-friendly synthesis, characterization, in-silico ADMET and molecular docking analysis of novel carbazole derivatives as antibacterial and antifungal agents
In search of novel biologically potent compounds, three novel organic molecules have been
synthesized. The structures of the prepared compounds have been characterized by …
synthesized. The structures of the prepared compounds have been characterized by …
1, 2, 4-Triazole derivatives as novel and potent antifungal agents: Design, synthesis and biological evaluation
Fungal infections are still threatening human health due to resistance to existing drugs,
therefore, the design and development of novel antifungal agents is to be necessary and …
therefore, the design and development of novel antifungal agents is to be necessary and …
Density functional theory molecular modeling, chemical synthesis, and antimicrobial behaviour of selected benzimidazole derivatives
M Marinescu, DG Tudorache, GI Marton… - Journal of Molecular …, 2017 - Elsevier
Abstract Eco-friendly, one-pot, solvent-free synthesis of biologically active 2-substituted
benzimidazoles is presented and discussed herein. Novel N-Mannich bases are …
benzimidazoles is presented and discussed herein. Novel N-Mannich bases are …
Spectroscopic characterization (IR, UV-Vis), and HOMO-LUMO, MEP, NLO, NBO analysis and the antifungal activity for 4-bromo-N-(2-nitrophenyl) benzamide; using …
In this study, the density functional theory was used to explore the spectral and electronic
properties of the title molecule, as well as a molecular docking technique to evaluate its …
properties of the title molecule, as well as a molecular docking technique to evaluate its …
New indazole–1, 2, 3–triazoles as potent antimicrobial agents: Design, synthesis, molecular modeling and in silico ADME profiles
SK Gandham, AA Kudale, TR Allaka, K Chepuri… - Journal of Molecular …, 2024 - Elsevier
Our current work is aimed at synthesizing novel derivatives of 1, 2, 3–triazolyl–indazoles,
applying docking techniques and biological evaluation in order to find active promising …
applying docking techniques and biological evaluation in order to find active promising …
Design, synthesis, ADME prediction and pharmacological evaluation of novel benzimidazole-1, 2, 3-triazole-sulfonamide hybrids as antimicrobial and antiproliferative …
FF Al-Blewi, MA Almehmadi, MR Aouad… - Chemistry Central …, 2018 - Springer
Background Nitrogen heterocyclic rings and sulfonamides have attracted attention of several
researchers. Results A series of regioselective imidazole-based mono-and bis-1, 4 …
researchers. Results A series of regioselective imidazole-based mono-and bis-1, 4 …
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