In Vitro Insight on Antifungal-Specific Potentiality of Ni(II) Complex against Colletotrichum siamense and Fusarium equisetum Phytopathogens.

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.

Combined theoretical and experimental insights on DNA and BSA binding interactions of Cu(ii) and Ni(ii) complexes along with the DPPH method of antioxidant assay and cytotoxicity studies.

This present study delineates the syntheses, detailed characterization and anti-proliferative potential against SiHa (cervical cancer cell) of two mononuclear complexes of Cu(ii) and Ni(ii) using a Schiff base ligand (L) derived from 2-hydroxybenzaldehyde and N-methyl-propane 1,3-diamine. The crystallographic results show the centro-symmetric space group of orthorhombic nature (Pccn) for Cu(ii) complex (1) where the central Cu(ii) has an inversion center symmetry with six co-ordinations resulting in a distorted octahedral geometry. Whereas, in complex (2), the two independent Ni(ii) atoms present in the special position within version symmetry and form a distorted geometry of octahedral nature with six coordinations. Absorption spectral titrations with Calf Thymus (CT) DNA and the extent of the decrease in relative emission intensities of DNA-bound ethidium bromide (EB) upon adding the complexes reveal the parallel trend in DNA binding affinities for both the complexes but with a small extent of binding capabilities. Bovine serum albumin (BSA) interaction studies demonstrate that complex 1 exhibits more promiscuous binding with BSA as compared to complex 2 from the spectroscopic and theoretical approaches. α,α-Diphenyl-ß-picrylhydrazyl (DPPH) free radical scavenging method shows a little antioxidant or free radical scavenging activity for both the studied complexes. Cytotoxicity studies against SiHa expressed that the percentage of cell viability was reduced with time whereas in the same concentration and conditions, the viability percentage was higher for 3T3-L1 (several normal cell lines of mouse). The fluorescence imaging obtained from acridine orange (AO) and ethidium bromide (EtBr) demonstrates that the colour of the cancer cells has changed gradually dictating the cell apoptosis from day 1 to day 3.

Biophysical insights into the binding capability of Cu(II) schiff base complex with BSA protein and cytotoxicity studies against SiHa.

Herein, we have explored the effects of chlorinated mononuclear Cu(II) complex upon binding with BSA protein (bovine serum albumin) and its in vitro anti-proliferative potentiality against SiHa cell. The complex was synthesized involving a Schiff base ligand having N,N,O donor centers and characterized by several spectroscopic studies. Structure, DFT studies and Hirshfeld surface (HS) analyses were identified using crystallographic computational studies. The binding interaction with BSA depicts the efficacy of the complex towards promising binding of it with BSA. Further, the complex shows a moderate cytotoxicity against SiHa cancer cell signifying its potentiality as an anti-proliferative agent for human cervix uteri carcinoma.

Exploring the Noncovalent Interactions of the Dinuclear Cu(II) Schiff Base Complex with Bovine Serum Albumin and Cell Viability against the SiHa Cancer Cell Line.

In the present study, a dinuclear bis(µ-acetate) dicopper(II) complex [Cu2L2(µ1.1-CH3COO-)2] has been synthesized from a tridentate NNO Schiff Base ligand L (L = 2,4-dibromo-6-((3-(methylamino)propylimino)methyl)phenol) and characterized by elemental, ultraviolet-visible (UV-vis), Fourier transform infrared (FTIR), 1H NMR, and electrospray ionization-mass spectrometry (ESI-MS) spectroscopic studies. The single-crystal X-ray structure, different noncovalent interactions, Hirshfeld surface analysis, and density functional theory (DFT) studies of the dinuclear complex were determined by crystallographic computational studies. The structural study exposed that the complex consists of the penta-coordinated double µ1.1-acetato-bridged dinuclear units of Cu(II), and it is a centrosymmetric dimer in which the center of inversion lies at the midpoint of two Cu(II) ions. Hirshfeld surface and DFT studies pointed out the probable potentiality of the crystal in prospective binding with the protein. This was experimentally verified by carrying out the binding interaction studies against bovine serum albumin (BSA) protein using various spectroscopic methods. It was observed that the copper(II) complex could strongly bind to BSA and could quench the intrinsic fluorescence of BSA. Further, the studied complex was appraised for cell viability studies against SiHa cancer cells. It is observed that cell viability increases with time, demonstrating the biocompatible nature of the complex.