Antibacterial activity and molecular studies of non-symmetric POCOP-Pd(II) pincer complexes derived from 2,4-dihydroxybenzaldehyde (2,4-DHBA)

• Published in: Polyhedron 2022-11, Vol.227, p.116115, Article 116115
• Main Authors: Aragón-Muriel, Alberto, Aguilar-Castillo, Bethsy A., Rufino-Felipe, Ernesto, Valdés, Hugo, González-Sebastián, Lucero, Osorio-Yáñez, Rebeca Nayely, Liscano, Yamil, Gómez-Benítez, Valente, Polo-Cerón, Dorian, Morales-Morales, David
• Format: Article
• Language: English
• Subjects: 2,4-Dihydroxybenzaldehyde; Antibacterial activity; Molecular studies; Non-symmetric pincer compounds; Pd(II) complexes; POCOP pincer complexes
• ISSN: 0277-5387
• DOI: 10.1016/j.poly.2022.116115

[Display omitted] A series of non-symmetric POCOP-Pd(II) pincer complexes including an aldehyde group in the meta-position of the aromatic pincer-backbone were prepared and characterized. The molecular structure of complex 1-Pd was unambiguously determined by single crystal X-ray diffraction analysis, showing a square-planar geometry around the metal fragment and the presence of the aldehyde functionality at the pincer ligand backbone. The evaluation of the antibacterial activities of complexes 2-Pd and 3-Pd against gram-positive and gram-negative strains was performed. Complex 3-Pd was the most active against S. aureus ATCC 25923 strain with a MIC value of 8 µg∙mL−1. We also determined by molecular docking studies, that pincer complexes 2-Pd and 3-Pd may interact with some key bacterial enzymes such as KPC-2 and PBP2A.