Synthesis and Evaluation of Antioxidant, Antibacterial, and Target Protein-Molecular Docking of Novel 5-Phenyl-2,4-dihydro-3H-1,2,4-triazole Derivatives Hybridized with 1,2,3-Triazole via the Flexible SCH2-Bonding
| Autor: | El Sayed H. El Ashry, K. M. Kandeel, O. M. Elhady, Mohamed El-Taher Ibrahim Badawy, M. A. Abdel-Sayed, M. M. Elshatanofy |
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| Rok vydání: | 2020 |
| Předmět: |
1
2 3-Triazole biology 010405 organic chemistry Chemistry Stereochemistry 1 2 4-Triazole General Chemistry Carbon-13 NMR 010402 general chemistry medicine.disease_cause biology.organism_classification 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Staphylococcus aureus medicine Target protein Antibacterial activity Escherichia coli Bacteria |
| Zdroj: | Russian Journal of General Chemistry. 90:2419-2434 |
| ISSN: | 1608-3350 1070-3632 |
| DOI: | 10.1134/s1070363220120300 |
| Popis: | Synthesis of some new 5-phenyl-2,4-dihydro-3H-1,2,4-triazole derivatives as hybrids with 1,2,3-triazoles via a flexible bonding, and their antioxidant and antibacterial activity have been studied. IR, 1H and 13C NMR spectra have confirmed the chemical structures of the compounds. Antioxidant activity has been compared with BHA as a standard. Several tested compounds have demonstrated highly potent antioxidant activity. Antibacterial activity of the products has been evaluated against Gram-negative (Escherichia coli) and Gram-positive (Staphylococcus aureus) bacteria, and some of those have been characterized as the most potent against E. coli and S. aureus. Molecular docking to the active sites of VIM-2 Metallo-β-Lactamase (MBL) as a target protein has revealed that most compounds have displayed minimal binding energy and good affinity toward the active pocket. |
| Databáze: | OpenAIRE |
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