Click Synthesis of 1,2,3‐Triazoles‐Linked 1,2,4‐Triazino[5,6‐ b ]indole, Antibacterial Activities and Molecular Docking Studies

2020 ◽  
Vol 5 (13) ◽  
pp. 4091-4098 ◽  
Author(s):  
Ali Keivanloo ◽  
Saghi Sepehri ◽  
Mohammad Bakherad ◽  
Mahboobe Eskandari
Keyword(s):  
Molecular Docking ◽  
Antibacterial Activities ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Click Synthesis

scholarly journals Synthesis, biological evaluation and molecular docking studies of new 2-ethoxy-4-{[3-alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl]-azomethine}-phenyl benzenesulfonate derivatives on human aldose reductase enzyme

2021 ◽  
Author(s):  
Gül Özdemir ◽  
Namık Kılınç ◽  
Sevda Manap ◽  
Murat Beytur ◽  
Muzaffer Alkan ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Antibacterial Activities ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Binding Energies ◽  
Diffusion Method ◽  
Alkyl Aryl ◽  
Molecular Docking Studies ◽  
New Compounds

A series of 2-ethoxy-4-{[3-alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl]-azomethine}-phenyl benzenesulfonates (3) were synthesized from the reactions of 3-alkyl(aryl)-4-amino-4,5-dihydro-1H-1,2,4-triazol-5-ones (1) with 2-ethoxy-4-formyl-phenyl benzenesulfonate (2). N-acetyl derivatives (4) of compounds 3 were also obtained. Then, the compounds 3 have been treated with morpholine and 2,6-dimethylmorpholine in the presence of formaldehyde to synthesize 2-ethoxy-4-{[1-(morpholine-4-yl-methyl)-3-alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl]-azomethine}-phenyl benzenesulfonates (5) and 2-ethoxy-4-{[1-(2,6-dimethylmorpholine-4-yl-methyl)-3-alkyl(aryl)-4,5-dihydro-1H-1,2,4-triazol-5-on-4-yl]-azomethine}-phenyl benzenesulfonates (6), respectively. The structures of twenty-six new compounds were identified by using elemental analysis, IR, 1H NMR, 13C NMR, and MS spectral data. In addition, in vitro antibacterial activities of the new compounds were evaluated against six bacteria such as Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Bacillus subtilis, Bacillus cereus and Klepsiella pneumonia according to agar well diffusion method. Furthermore, in order to determine the possible antidiabetic properties of the synthesized 1,2,4-triazole derivatives, inhibition effects on the AR enzyme were investigated and molecular docking studies were carried out to determine the receptor-ligand interactions of these compounds. IC50 values of triazole-derived compounds (6a, 6b, 6d-g) against AR enzyme were determined as 0.95 µM, 0.75 µM, 1.83 µM, 0.62 µM, 1.05 µM, 1.06 µM, respectively. Considering the docking scores and binding energies obtained docking studies, it has been shown that molecules fit very well to the active site of the AR enzyme.

Click Synthesis, Anticancer Activity and Molecular Docking Studies on Pyridazinone Scaffolds

2018 ◽  
Vol 22 (23) ◽  
pp. 2300-2307 ◽  
Author(s):  
Tamer El Malah ◽  
Hany F. Nour ◽  
Oussama Dehbi ◽  
Farouk M.E. Abdel-Megeid ◽  
Abeer Essam El-Din Mahmoud ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Anticancer Activity ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Click Synthesis

Synthesis, antibacterial activities and molecular docking studies of peptide and Schiff bases as targeted antibiotics

2009 ◽  
Vol 17 (23) ◽  
pp. 7861-7871 ◽  
Author(s):  
Kui Cheng ◽  
Qing-Zhong Zheng ◽  
Yong Qian ◽  
Lei Shi ◽  
Jing Zhao ◽  
...  
Keyword(s):  
Molecular Docking ◽  
Schiff Bases ◽  
Antibacterial Activities ◽  
Docking Studies ◽  
Molecular Docking Studies

scholarly journals Synthesis, molecular docking studies, anticancer and antibacterial activities of some novel Dinuclear Nickel (II) Complexes 2, 4-Dihydroxy acetyl-4-Hydroxybenzoic Hydrazone

2020 ◽  
Vol 11 (SPL4) ◽  
pp. 2407-2416
Author(s):  
Mohammed Fadhil Eesee ◽  
Subbarao M
Keyword(s):  
Lung Cancer ◽  
Molecular Docking ◽  
Biological Activities ◽  
Antibacterial Activities ◽  
Docking Studies ◽  
Molecular Docking Studies ◽  
Anti Cancer ◽  
In Vitro Antibacterial Activity ◽  
Bcl2 Protein

Substituted 2, 4-Dihydroxyacetyl-4-Hydroxybenzoic Hydrazone, which is known for their versatile biological activities, have been reported to show significant anti lung cancer activities. In the present study, a novel series of some 2, 4-Dihydroxyacetyl-4-Hydroxybenzoic Hydrazone ligands were complexed with Nickle and synthesized to develop more potent anti-cancer activities. The Ni complexes were synthesized in good to excellent yields, and equimolar solutions of 2, 4-dihydroxyacetophenone in methanol and 4-hydroxy benzoic hydrazide in hot aqueous ethanol were refluxed for two hours on a water bath and cooled. I.R., NMR and HRMS spectral analysis characterized the structures of all newly synthesized compounds. The title compounds were tested against a panel of Gram-positive and Gram-negative bacteria for in vitro antibacterial activity. The compounds were docked to BCL2 protein, an expressed protein of lung cancer for anti-cancer studies. All the title compounds were screened for anti-cancer activity using BCL2 lung protein based on insilico molecular docking studies, and the results showed IC50 value ranging between 40-45μg.

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