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Manganese(II) and Zinc(II) metal complexes of novel bidentate formamide-based Schiff base ligand: synthesis, structural characterization, antioxidant, antibacterial, and in-silico molecular docking study.
Juyal, Vijay Kumar; Thakuri, Shweta Chand; Panwar, Mohit; Prakash, Om; Perveen, Kahkashan; Bukhari, Najat A; Nand, Viveka.
Afiliación
  • Juyal VK; Department of Chemistry, G.B. Pant University of Agriculture and Technology, Pantnagar, India.
  • Thakuri SC; Department of Chemistry, G.B. Pant University of Agriculture and Technology, Pantnagar, India.
  • Panwar M; Department of Chemistry, G.B. Pant University of Agriculture and Technology, Pantnagar, India.
  • Rashmi; Department of Chemistry, G.B. Pant University of Agriculture and Technology, Pantnagar, India.
  • Prakash O; Regional Ayurveda Research Institute, Ministry of Ayush, Gwalior, India.
  • Perveen K; Department of Botany and Microbiology, College of Science, King Saud University Riyadh, Riyadh, Saudi Arabia.
  • Bukhari NA; Department of Botany and Microbiology, College of Science, King Saud University Riyadh, Riyadh, Saudi Arabia.
  • Nand V; Department of Chemistry, G.B. Pant University of Agriculture and Technology, Pantnagar, India.
Front Chem ; 12: 1414646, 2024.
Article en En | MEDLINE | ID: mdl-39100916
ABSTRACT
A new bidentate Schiff base ligand (C16H16Cl2N4), condensation product of ethylene diamine and 4-chloro N-phenyl formamide, and its metal complexes [M(C16H16Cl2N4)2(OAc)2] (where M = Mn(II) and Zn(II)) were synthesized and characterized using various analytical and spectral techniques, including high-resolution mass spectrometry (HRMS), elemental analysis, ultraviolet-visible (UV-vis), Fourier-transform infrared (FTIR) spectroscopy, AAS, molar conductance, 1H NMR, and powder XRD. All the compounds were non-electrolytes and nanocrystalline. The synthesized compounds were assessed for antioxidant potential by DPPH radical scavenging and FRAP assay, with BHT serving as the positive control. Inhibitory concentration at 50% inhibition (IC50) values were calculated and used for comparative analysis. Furthermore, the prepared compounds were screened for antibacterial activity against two Gram-negative bacteria (Staphylococcus aureus and Bacillus subtilis) and two Gram-positive bacteria (Escherichia coli and Salmonella typhi) using disk-diffusion methods, with amikacin employed as the standard reference. The comparison of inhibition zones revealed that the complexes showed better antibacterial activity than the ligand. To gain insights into the molecular interactions underlying the antibacterial activity, the ligand and complexes were analyzed for their binding affinity with S. aureus tyrosyl-tRNA synthetase (PDB ID 1JIL) and S. typhi cell membrane protein OmpF complex (PDB ID 4KR4). These analyses revealed robust interactions, validating the observed antibacterial effects against the tested bacterial strains.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Chem Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Suiza
Texto completo
Añadir a Mi BVS
Imprimir
XML
PubMed Links
Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Front Chem Año: 2024 Tipo del documento: Article País de afiliación: India Pais de publicación: Suiza