The In-vitroinvestigation of antibacterialandantifungal potential of hybrid schiff base-urea and some of their complexes supported with In-Silico bioactivity docking approaches | [Bioscience Research • 2023]

Author(s):

1. Lotfi M. Aroua: Department of Chemistry, College of Science, Qassim University, Campus University, King Abdulaziz Road, Al-Malida, Buraydah, Qassim, Kingdom of Saudi Arabia; Laboratory of Organic Structural Chemistry and Macromolecules, Department of Chemistry, Faculty of Sciences of Tunis, Tunis El-Manar University, El Manar I 2092, Tunis,Tunisia; Carthage University; Department of Chemistry, Faculty of Sciences of Bizerte, 7021 Jarzouna, Tunisia

2. Ahmed N. Al-Hakimi: Department of Chemistry, College of Science, Qassim University, Campus University, King Abdulaziz Road, Al-Malida, Buraydah, Qassim, Kingdom of Saudi Arabia; Department of Chemistry, Faculty of Sciences, Ibb University, Ibb, Yemen

3. Mahfoudh A. M. Abdulghani: Department of Pharmacology & Toxicology, Unaizah College of Pharmacy, Qassim University, 5919, Qassim, Kingdom of Saudi Arabia; Pharmacology department, international Medical School, Management and Science University, Shah Alam, 40100, Malaysia

4. Sadeq K. Alhag: Department of Biology, College of Science, Ibb University, Yemen

Abstract:

The reaction of o-phenylenediamine, 1-naphthyl isocyanate, and suitable aromatic aldehyde 4a-e produced urea-Schiff base derivatives 5a-e. The ligand HL (5d) was achieved from 2-hydroxynaphthaldehyde and employed to elaborate mononuclear complexes 6a-c from Metal Cu2+, Cr3+, and Co2+. Analytical investigations indicate that the HL ligand interacts with metallic ions through an octahedral-shaped neutral monodentate, or monobasic chelator involved in azomethine nitrogen and a protonated/deprotonated oxygen atom of phenolic group. The elemental study of the complexes revealed that the ligand bonds metallic ions via 1:1 ratio in all complexes. The crystallin system of compounds 5d and 6a-c have monoclinic, tetragonal, and orthorhombic structures which correspond to urea-Schiff base, cobalt (6b), and copper (6a). The antimicrobial activity of the Schiff base-urea derivatives 5a-e and their complexes 6a-c was investigated. Cobalt complex (6b), demonstrated a significant antibacterial activity against gram positive bacteria Staphylococcus aureus (CP), Enterococcus faecalis, and Staphylococcus aureus (CP), Enterococcus faecalis, and Staphylococcus aureus (CN) (17 ± 3, 14 ± 2 and 13 ± 2 mm), which is equivalent to the standard reference drug Erythromycin. The minimum inhibitory concentration (MIC) of cobalt complex was also evaluated and the MIC value found 2.5 µg/mL, which was extremely close to the standard reference drug Erythromycin. The docking investigation of molecules 5a-e and 6a-c revealed binding energy values ranging from 8.9 to 11.7 kcal/mol. The most active molecules from experiments, 5e and 6b, interacted with the key amino acids of the tyrosyl tRNA-synthetase catalytic site. Grampositive bacteria may be susceptible to the antimicrobial effects of the urea-Schiff base cobalt complex.

Page(s): 956-970

DOI: DOI not available

Published: Journal: Bioscience Research, Volume: 20, Issue: 4, Year: 2023

Keywords:

Antibacterial activity , Antifungal activity , UreaSchiff base , in silico docking study , complexes

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