Antibacterial activity and molecular studies of non-symmetric POCOP-Pd(II) pincer complexes derived from 2, 4-dihydroxybenzaldehyde (2, 4-DHBA). (15th November 2022)

• Record Type: Journal Article
• 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
• Is Part Of: Polyhedron. Volume 227(2022)
• Publication Date: 2022-11-15
• Subjects: POCOP pincer complexes -- Pd(II) complexes -- Non-symmetric pincer compounds -- 2, 4-Dihydroxybenzaldehyde -- Antibacterial activity -- Molecular studies; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2022.116115
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Abstract: 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.