Synthesis, characterization and anti-microbial evaluation of Cu(II), Ni(II), Pt(II) and Pd(II) sulfonylhydrazone complexes; 2D-QSAR analysis of Ni(II) complexes of sulfonylhydrazone derivatives

• Published in: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2013-05, Vol.108, p.123-132
• Main Authors: Özbek, Neslihan, Alyar, Saliha, Alyar, Hamit, Şahin, Ertan, Karacan, Nurcan
• Format: Article
• Language: English
• Subjects: 2D-QSAR; Antimicrobial activity; Ni(II) sulfonyl hydrazone derivatives; Sulfonylhydrazide; Sulfonylhydrazone; X-ray structure
• ISSN: 1386-1425
• DOI: 10.1016/j.saa.2013.01.005

Plot of observed versus calculated pMIC values of training sets for: (a) E. coli and (b) S. aureus [Display omitted] ► New original sulfonylhydrazine and sulfonylhydrazone complexes were synthesized. ► New synthesized compounds were screened for their antibacterial activity. ► QSAR analysis was performed on Ni(II) sulfonylhdrazone complexes for E. coli and S. aureus. Copper(II), nickel(II), platinum(II) and palladium(II) complexes with 2-hydroxy-1-naphthaldehyde-N-methylpropanesulfonylhydrazone (nafpsmh) derived from propanesulfonic acid-1-methylhydrazide (psmh) were synthesized, their structure were identified, and antimicrobial activity of the compounds was screened against three Gram-positive and three Gram-negative bacteria. The results of antimicrobial studies indicate that Pt(II) and Pd(II) complexes showed the most activity against all bacteria. The crystal structure of 2-hydroxy-1-naphthaldehyde-N-methylpropanesulfonylhydrazone (nafpsmh) was also investigated by X-ray analysis. A series of Ni(II) sulfonyl hydrazone complexes (1–33) was synthesized and tested in vitro against Escherichia coli and Staphylococcus aureus. Their antimicrobial activities were used in the QSAR analysis. Four-parameter QSAR models revealed that nucleophilic reaction index for Ni and O atoms, and HOMO–LUMO energy gap play key roles in the antimicrobial activity.