Biological contour, molecular docking and antiproliferative studies of DNA targeted histidine based transition metal(II) complexes: Invention and its depiction

117

Some new complexes derived from VO(II), Ag(I) and Pd(II) metal ions and HNA imine ligand (L), i.e. (2‐((6‐allylidene‐2‐hydroxycyclohexa‐1,3‐dienylmethylene)amino)benzoic acid), have been prepared and their structures elucidated via molar conductance measurements, elemental analyses, infrared, NMR and electronic spectra and magnetic susceptibility estimations. Moreover, stability constants of the synthesized complexes were evaluated utilizing a spectrophotometric technique. On the basis of molar conductance and elemental analyses, the metal imine chelates have structure [M(L)], where M = Pd(II), VO(II) and Ag(I). The results indicate that the prepared HNA imine ligand acts as a tridentate moiety via nitrogen atom of azomethine group and two oxygen atoms of phenolic and carboxylic groups. All the complexes are found to be monomeric with 1:1 stoichiometry with square planar geometry for Pd(II), tetrahedral geometry for Ag(I) and distorted square pyramidal for VO(II). Theoretical density functional theory calculations were applied to verify the molecular geometry of the chelators and their metal chelates. The geometry optimization results are in agreement with experimental observations. The antimicrobial properties of the prepared HNA imine ligand and its metal chelates were evaluated against numerous plant pathogenic fungi and bacteria. The results of these studies indicate that the metal complexes exhibit a stronger antibacterial and antifungal effect compared to the imine ligand. In addition, the interaction of the metal imine chelates with calf thymus DNA was observed by way of viscosity, gel electrophoreses and spectral studies. Absorption titration studies reveal that each of the complexes is an avid binder to calf thymus DNA. Also, there are appreciable changes in the relative viscosity of DNA, which are consistent with enhanced hydrophobic interaction of the aromatic rings and intercalation mode of binding. Additionally, the cytotoxic activity of the investigated compounds against various cancer cell lines shows promising results which makes them prospective compounds for antibiotic and anticancer medicament studies. Furthermore, docking studies of the prepared compounds were conducted for confirming the biological results.

Section: Biological Investigationmentioning

confidence: 99%

mentioning

confidence: 99%

Some new Ag(I), VO(II) and Pd(II) chelates incorporating tridentate imine ligand: Design, synthesis, structure elucidation, density functional theory calculations for DNA interaction, antimicrobial and anticancer activities and molecular docking studies

Abdel‐Rahman

Abu‐Dief

Shehata

et al. 2019

117

“…The DNA binding studies of electronic absorption, viscosity measurements, DNA cleavage, cytotoxicity activity are followed according to the previously reported procedures. [18] The materials and methods, Fluorescence binding studies, antimicrobial activity, antioxidant activity, and molecular docking details are given in supporting information (S1).…”

Section: Methodsmentioning

confidence: 99%

“…Amino acid derived transition metal complexes were synthesized by using our previously reported Schiff base ligand (E)-4-((4-chloro-3-nitrobenzylidine)amino)-1,5dimethyl-2-phenyl-1H-pyrazol-3(2H)-one. [18] A 5 mmol of the ligand and 5 mmol of metal (II) chlorides were mixed with 50 ml of methanol and stirred with refluxed for ca. 2 hr and then, a 10 mmol of L-tryptophan in water: methanol (1:1) mixture was added to the above mixture while continuous stirring with reflux for ca.…”

Section: Synthesis Of Metal Complexesmentioning

confidence: 99%

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Probing of effective pyrazolone based metallonucleases: Molecular docking and in vitro biological critiques

Arunadevi¹,

Paulpandiyan²,

Raman³

2018

Self Cite

Four novel tryptophan based metal (II) complexes of the type [ML (Try)2] were prepared by using pyrazolone derived Schiff base ligand. The proposed structure was confirmed by physicochemical methods which reveal octahedral coordination environment around the metal center. Intercalative binding mode of the complexes with CT DNA was confirmed by electronic absorption titration, viscosity measurements and fluorescence spectroscopy. Efficiency of DNA cleavage ability of the metal complexes was explored by the gel electrophoresis technique. The antimicrobial activities of the metal complexes showed potent biocidal activity. The percentage of free radical scavenging activity shows that the complexes are very reactive towards DPPH. Moreover, their cytotoxicity was tested against the two cancer cell lines (MCF‐7 and HepG2) and one normal cell line (NHDF) respectively. The MTT assay shows that the complexes have the anticancer efficacy. Moreover, the complexes exhibit a limited cytotoxicity effect on normal cell line NHDF. The morphological changes of apoptosis cell death were investigated by using Hoechst 33258 staining method. In addition, the Molecular docking studies was executed to consider the nature of binding and binding affinity of the synthesized compounds with DNA (PDB: 1BNA) and protein (PDB: 3hb5).

Two Ho(III) and Co(II) complexes constructed from bis(triazol‐1‐yl)benzoic acid with structurally similar carboxyl ligands: Syntheses, structures and biological activities

Zhu

Wang

Meng

et al. 2018

Two new complexes, [Ho(L) 2 NO 3 ] n (1) and [Co(L′) 2 Cl 4 ] n (2) (HL = 3,5bis(triazol-1-yl)benzoic acid, HL′ = 2,4-bis(triazol-1-yl)benzoic acid), have been synthesized and characterized. Interactions with DNA through absorption titration experiments, fluorescence spectra, viscosity measurements and a molecular docking study were examined. The results suggested that complexes 1 and 2 interact with DNA in a partial intercalation mode. DNA binding affinity was determined using k b values, which indicated that the binding activity of the complexes to DNA was complex 2 (k b = 1.93 × 10 4 ) > complex 1 (k b = 1.06 × 10 4 ). Gel electrophoresis assay demonstrated that the complexes have the ability to cleave pBR322 DNA. Apoptotic assay indicated that the complexes can induce programmed death of Hela cells (human cervix carcinoma cells). A cytotoxicity study indicated that complex 2 shows a greater inhibitory rate of Hela cells than complex 1 and the cytotoxicity of both 1 and 2 showed time dependence. Especially, the efficacy of complex 2 was shown to be higher than that of cisplatin at 72 h.