THEME: "Frontiers in Chemical Sciences for Health, Energy, and Sustainability"
Olabisi Onabanjo University, Nigeria
Title: The structural activity relationship and anion-controlled quinolinyl Ag(I) complexes: Molecular docking, Antimicrobial and Antioxidant activities as well as their interaction with macromolecules
In this communication, we feature the synthesis and in-depth characterization of a series of
silver(I) complexes obtained from the complexation of quinolin-4-yl Schiff base ligands ((E)-
2-((quinolin-4-ylmethylene)amino)phenol La, 2-(quinolin-4-yl)benzo[d]thiazole Lb, (E)-N-(2-
fluorophenyl)-1-(quinolin-4-yl) methanimine Lc, (E)-N-(4-chlorophenyl)-1-(quinolin-4-yl)
methanimine Ld, (E)-1-(quinolin-4-yl)-N-(p-tolyl)methanimine Le, (E)-1-(quinolin-4-yl)-N-
(thiophen-2-ylmethyl)methanimineLf) and three different silver(I) anions (nitrate, perchlorate
and triflate). Structurally, the complexes adopted different coordination geometries, which
included distorted linear or distorted tetrahedral geometry. The complexes were evaluated in
vitro for their potential antibacterial and antioxidant activities. In addition, their interactions
with calf thymus-DNA (CTDNA) and bovine serum albumin (BSA) were evaluated. All the
complexes had a wide spectrum of effective antibacterial activity against gram-positive and
gram-negative bacterial and good antioxidant properties. The interactions of the complexes
with CT-DNA and BSA were observed to occur either through intercalation or through a minor
groove binder, while the interaction of the complexes with BSA reveals that some of the
complexes can strongly quench the fluorescence of BSA through the static mechanism. The
molecular docking studies of the complexes were also done to further elucidate the modes of
interaction with CT-DNA and BSA.