AUTHOR=Juyal Vijay Kumar , Thakuri Shweta Chand , Panwar Mohit , Rashmi  , Prakash Om , Perveen Kahkashan , Bukhari Najat A. , Nand Viveka 

TITLE=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

JOURNAL=Frontiers in Chemistry

VOLUME=Volume 12 - 2024

YEAR=2024

URL=https://www.frontiersin.org/journals/chemistry/articles/10.3389/fchem.2024.1414646

DOI=10.3389/fchem.2024.1414646

ISSN=2296-2646

ABSTRACT=A new bidentate Schiff base ligand (C 16 H 16 Cl 2 N 4 ), condensation product of ethylene diamine and 4-Chloro N-Phenyl formamide, and its metal complexes [M(C 16 H 16 Cl 2 N 4 ) 2 (OAc) 2 ] (where M = Mn(II) and Zn(II)) were synthesized and characterized using various analytical and spectral techniques, including HRMS, elemental analysis, UV-Vis, FT-IR, AAS, molar conductance, 1 HNMR, and Powder XRD. All the compounds were found non-electrolyte and nanocrystalline.The synthesized compounds were assessed for antioxidant potential by DPPH radical scavenging and FRAP assay, with BHT serving as the positive control. IC50 values were calculated and used for comparative analysis. Furthermore, the prepared compounds were screened for antibacterial activity against two Gram-negative bacteria (S. aureus and B. subtilis) and two Gram-positive bacteria (E. coli and S. 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 compared to 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.