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 …
Synthesis and anticandidal activity evaluation of new benzimidazole-thiazole derivatives
Azole-based antifungal agents constitute one of the important classes of antifungal drugs.
Hence, in the present work, 12 new benzimidazole-thiazole derivatives 3a–3l were …
Hence, in the present work, 12 new benzimidazole-thiazole derivatives 3a–3l were …
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 Docking, Dynamics, Quantum-Chemical Computation, and Antimicrobial Activity Studies of Some New Benzimidazole–Thiadiazole Hybrids
In this study, some new compounds, which are 2-aminothiadiazole derivatives linked by a
phenyl bridge to the 2-position of the benzimidazole ring, were designed and synthesized as …
phenyl bridge to the 2-position of the benzimidazole ring, were designed and synthesized as …
In vitro antifungal activities, molecular docking, and DFT studies of 4-amine-3-hydrazino-5-mercapto-1, 2, 4-triazole derivatives
L Qi, MC Li, JC Bai, YH Ren, HX Ma - Bioorganic & medicinal chemistry …, 2021 - Elsevier
Six disubstituted Schiff base compounds were synthesized (A1-A6) and characterized using
infrared spectroscopy (IR), elemental analyses (EA), 1 H NMR, 13 C NMR and HRMS …
infrared spectroscopy (IR), elemental analyses (EA), 1 H NMR, 13 C NMR and HRMS …
Design, synthesis, DFT study and antifungal activity of the derivatives of pyrazolecarboxamide containing thiazole or oxazole ring
Z Yan, A Liu, M Huang, M Liu, H Pei, L Huang… - European Journal of …, 2018 - Elsevier
Pyrazolecarboxamide fungicides are one of the most important classes of agricultural
fungicides, which belong to succinodehydrogenase inhibitors (SDHIS). To discover new …
fungicides, which belong to succinodehydrogenase inhibitors (SDHIS). To discover new …
Synthesis, characterization, DFT calculation, antifungal, antioxidant, CT-DNA/pBR322 DNA interaction and molecular docking studies of heterocyclic analogs
A series of heterocyclic analogs (2a-2l) was synthesized through condensation of 5-(4-
aminophenyl)-1, 3, 4-oxadiazole-2-thiol and substituted aldehydes in ethanol and …
aminophenyl)-1, 3, 4-oxadiazole-2-thiol and substituted aldehydes in ethanol and …
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 …
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 …
Synthesis of new benzimidazole derivatives containing 1, 3, 4-thiadiazole: their in vitro antimicrobial, in silico molecular docking and molecular dynamic simulations …
ABSTRACT A series of some new benzimidazole-1, 3, 4-thiadiazoles was synthesized. The
structures of target substances were confirmed by using 1H-NMR and 13С-NMR …
structures of target substances were confirmed by using 1H-NMR and 13С-NMR …