In an initiation to investigate a prospective bioactive
compound,
a mononuclear Ni(II) complex with N, N, and O donor Schiff base ligand
was synthesized and characterized in the present study through FTIR,
ESI-mass, and X-ray crystallographic diffraction studies. A slightly
distorted octahedral geometry has been obtained for the Ni(II) complex
from X-ray crystallographic diffraction studies. In vitro comprehensive biological studies show the antifungal specific efficiency
of the complex against Colletotrichum siamense (AP1) and Fusarium equisetum (F.E.)
pathogens, which are responsible for anthracnose and wilt disease,
respectively, but no inhibitory effect on both Gram-positive and Gram-negative
bacteria. The minimum inhibitory concentration (MIC) for these pathogens
was observed to be 0.25 and 0.5 mM, respectively. The experiment also
reveals that significant damage of mycelia and enlarged, misshaped
damaged spores are noticed in comparison to hexaconazole, used as
a positive control under a light microscope post 48 h treatment of
AP1 and F.E. with the MIC of the complex. The binding interaction
studies of the complex with DNA and BSA performed through a variety
of spectroscopic techniques demonstrate a strong binding behavior
of the complex for both the binding systems. The observed negative
ΔH° and ΔS°
values for DNA reveal the existence of hydrogen-bonding/van der Waals
interactions for DNA which was also exemplified from the molecular
docking and self-assembly studies of the complex. The positive ΔH° and ΔS° values for BSA
demonstrate the hydrophobic interactions of the complex with BSA.
However, cytotoxicity studies against the MDA-MB-231 breast cancer
cell line did not demonstrate any significant potentiality of the
complex as an anticancer agent. All the bio-experimental studies provide
clear evidence that the synthesized Ni(II) complex exhibits potential
antifungal activity and could be used as a therapeutic fungicide agent
in comparison to hexaconazole in agricultural practices.