Title

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

Document Type

Article

Abstract

Abstract: 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.

Publication Date

12-1-2020

Faculty

Faculty of Applied Health Sciences Technology

Subject Area

Physical Sciences, General Chemistry

Indexed in Scopus

yes

Indexed in Web Of Science

yes

DOI

https://doi.org/10.1134/S1070363220120300

Volume

90

Keywords

5-phenyl-2, 4-dihydro-3H-1, 2, 4-triazole derivatives, ADMET, antibacterial activity, antioxidants, molecular docking

ISSN

10703632

eISSN

16083350

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