A new hexanuclear Zn(II) complex with the ligand 2,2'-(piperazine-1,4-diyl)bis(ethan-1-amine), L
Zn
(OH)
ClO
·3MeOH·7H
O, was synthesized. The crystal structure of this complex showed that each Zn ...atom is in a distorted tetrahedral coordination environment, surrounded by two nitrogen atoms from each ligand and two hydroxide groups, each of which bridges to another Zn atom. The anticancer activities of the ligand and its metal complex against the breast cancer cell line (MCF-7) indicated that the zinc complex had a greater anticancer activity. The free ligand and its metal complex were evaluated for antioxidant activity using the DPPH scavenging method. In addition, the antibacterial activities of both compounds were screened against Gram-positive (
) and Gram-negative (
) bacteria. The interaction of these compounds with DNA and AChE was also investigated using molecular docking.
Three symmetrical macroacyclic Schiff base complexes were prepared from a ligand derived from the condensation reaction of 1,4-bis(2-aminophenyl)piperazine and salicylaldehyde (L) with Cu(
ii
), Ni(
...ii
) and Co(
ii
) perchlorates. The ligand and the Schiff base complexes were characterized by elemental analyses, UV-vis, FT-IR and mass spectrometry, with the structure of CoL being determined by a single crystal X-ray structural analysis. In this complex, the cobalt is in a distorted trigonal prismatic coordination environment, surrounded by the six donor atoms of the deprotonated hexadentate ligand. In order to compare the experimental and theoretical data and determine structure parameters in all complexes, Density Functional Theory (DFT) calculations at the B3lyp and BP86 levels with Def2-TZVP basis set have been carried out. NBO and QTAIM analyses have been used to describe the nature of M-O and M-N bonding in these complexes. The synthesized complexes were screened for their antioxidant activities using the DPPH free radical scavenging assay while their bactericidal activity was evaluated by the paper disc diffusion method against both Gram-negative and Gram-positive bacteria, revealing strong antioxidant activities and moderate effectiveness against all bacteria tested. The cytotoxicity of the metal complexes was also investigated against AGS (gastric) and A549 (lung) adenocarcinoma cells.
Symmetrical macroacyclic Schiff base complexes were prepared from a ligand derived from the condensation reaction of 1,4-bis(2-aminophenyl)piperazine and salicylaldehyde (L) with Co(
ii
) perchlorates.
Esophageal squamous cell carcinoma (ESCC) is among the leading causes of cancer related death. Despite of extensive efforts in identifying valid cancer prognostic biomarkers, only a very small number ...of markers have been identified. Several genetic variants in the 9p21 region have been identified that are associated with the risk of multiple cancers. Here, we explored the association of two genetic variants in the 9p21 region, CDKN2A/B, rs10811661, and rs1333049 for the first time in 273 subjects with, or without ESCC. We observed that the patients with ESCC had a higher frequency of a TT genotype for rs10811661 than individuals in the control group, and this polymorphism was also associated with tumor size. Moreover, a CC genotype for the rs1333049 polymorphism was associated with a reduced overall survival (OS) of patients with ESCC. In particular, patients with a CC (rs1333049) genotype had a significantly shorter OS (CC genotype: 34.5 ± 8.9 months vs. CG+GG: 47.7 ± 5.9 months;
p value = 0.03). We have also shown the association of a novel genetic variant in CDKN2B gene with clinical outcome of patients with ESCC. Further investigations are warranted in a larger population to explore the value of emerging markers as a risk stratification marker in ESCC.
Kaplan‐Meier survival curves. a) Overall Survival (OS) and b) Progression‐Free Survival (PFS) based on different genotypes of CDKN2B rs1333049 polymorphism. p values were calculated with the logrank test
To synthesize new symmetrical macroacyclic Schiff base ligands (L1 and L2), polyamine (A) was condensed with 2-formylpyridine and salicylaldehyde. Furthermore, Ni(ClO4)2.6H2O and Zn(ClO4)2.6H2O in ...methanol were reacted with the ligands to prepare corresponding metal complexes. The cytotoxicity of the synthesized complexes against MCF-7 and A549 adenocarcinoma cells was evaluated, where Zn-complexes displayed greater cytotoxic effects than Ni-complexes. Conductivity measurements, ESI-MS, UV-Vis, molar conductivity, IR, 1H, and 13C NMR spectra were used to characterize the products. Furthermore, molecular docking was performed to assess the biological activity of the complexes, and it was observed that Zn-complexes exhibited the highest inhibition effect against cytotoxic receptors.
•Stepwise post-synthetic modification of surface nitrogen-enriched Cu(BDCNH2) metal-organic frameworks (MOFs).•preparation of Cu(BDCNH2) -AuNTf2.•Various techniques, including FT-IR, XRD, SEM, BET, ...EDS, ICP, and TGA, characterized.•This method was performed efficiently under mild conditions and provided a general and convenient route for synthesizing allylamino E-enamides with good yield and high stereoselectivity.
Here, we prepared an efficient and reusable catalyst by stepwise post-synthetic modification of surface nitrogen-enriched Cu(BDCNH2) metal-organic frameworks (MOFs) and used it as a catalyst for the preparation of Cu(BDCNH2) -AuNTf2. Catalytic performance results of the Cu(BDCNH2)-AuNTf2 catalyst showed high efficiency in modulating the microenvironment of AuNTf2 Nanoparticles. Successful preparation of Cu(BDCNH2)-AuNTf2 catalyst has been proven by various techniques, including FT-IR, XRD, SEM, BET, EDS, ICP, and TGA. The synthesis of allylamino E-enamides with good yield and high stereoselectivity was carried out under mild conditions in the presence of AuNTf2 Nanoparticle catalysis. Clean method, easy catalyst manufacturing, high efficiency, and recyclability are the most important advantages of this procedure.
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•Synthesis of a new asymmetrical diamine, by direct reductive amination of a carbonyl compound.•prepared tree Zn(II), Cd(II) and Mn(II) macrocyclic Schiff base ...complexes.•characterized the synthesized compounds by elemental analysis, IR, ESI-MS and, NMR spectroscopy.•Investigation of a cytotoxicity and antioxidant activity by in vitro and molecular docking studies.
Three new Zn(II), Cd(II) and Mn(II) macrocyclic Schiff base complexes have been prepared via the Mn(II), Cd(II), and Zn(II) templated 1 + 1 cyclo condensation of phtalaldehyde with an asymmetrical diamine, 2-((4-(2-((2-amino benzyl)amino)ethyl)piperazine-1-yl)methyl)aniline. The complexes have been characterized by elemental analysis, IR, ESI-MS, and NMR spectroscopy. The cytotoxicity of the compounds was evaluated against three different cancer cell lines, including MCF-7 (breast), A549 (lung), and AGS (gastric) adenocarcinoma cells. In general, Cd-complex possesses a higher cytotoxic effect against the tested cells than the Zn, and Mn-complexes. Besides, antioxidant activity assays displayed that Cd, and Zn complexes had significant antioxidant potencies compared to ascorbic acid and quercetin, due to the standards. In addition, the biological assessment of synthesized complexes was examined via molecular docking. Findings showed that the Cd-complexes have the highest inhibition effect against cytotoxic and antioxidant receptors.
•Synthesis of a scorpionate type ligand (L), by direct reductive amination of a carbonyl compound.•Synthesis of complexes by the reaction of ligand with Mn (II), Zn (II) and Cd (II) metal ...ions.•Determination of structure of the complex MnL (ClO4)2 by X- ray single crystal technique.•A theoretical study on the structure in the considered complexes.•Biological evaluation of the synthesized complexes were determined using molecular docking.
A hexadentate, asymmetric tripodal scorpionate type ligand, N1-Pyridin-2-ylmethyl-N1-2-(4-pyridine-2-ylmethyl-piperazine-1-yl)-ethyl-ethane-1,2-diamine (L) has been prepared. To form this ligand, the direct reductive amination of a carbonyl compound by NaBH4 was used for the synthesis of tertiary amine. The complexes MnL)ClO4(2, CdL)ClO4(2, ZnL)ClO4(2 have also been prepared. The synthesized compounds were characterized by elemental analyses, FT-IR, ESI-MS and, NMR spectroscopy. An X-ray crystal structure of MnL (ClO4)2, shows that the coordination environment around the manganese is a distorted trigonal prism. The nature of metal–ligand bonding in the complexes was investigated by Natural Bond Orbital analysis, Energy Decomposition Analysis and Energy Decomposition Analysis using Natural Orbitals for Chemical Valence variation. Molecular docking has been used for the biological evaluation of the anticancer and antioxidant activities of the synthesized compounds. The docking results indicated that the Cd, Mn, and Zn-complexes had the highest binding affinity (MolDock Score) for the binding sites of cytochrome P450, myeloperoxidase, and cytochrome P450, respectively.
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Three new metal complexes have been obtained from the reaction of a new polyamine (L) with Ni(II), Cu(II), and Co(II) ions. The X-ray structural analysis of the Cu(II) complex shows that the copper ...atom is in a very distorted square pyramidal environment, coordinated by five of the six nitrogen donor atoms of the potentially hexadentate ligand. To evaluate the biological potential of the ligand and the synthesized metal complexes, their binding behavior with DNA was studied by molecular modeling methods. The Molecular docking studies showed that the free ligand and its complexes were bound to the major groove of DNA. The antioxidant activities of the ligand and its metal complexes were also assessed, in vitro, using 2,2-diphenyl-1-picrylhydrazyl. The synthesized compounds were tested for activity against lung carcinoma epithelial cells (A549) using the MTT cell viability assay. A comparative study of the IC50 values indicated that the Cu(II) complex exhibited the highest activity, while the Co(II) and Ni(II) complexes showed more potent antiproliferative activity than the ligand. The antibacterial activities of the synthesized complexes were evaluated using micro-broth dilution and disk diffusion methods. The complexes showed greater antibacterial activity than the free ligand.
Communicated by Ramaswamy H. Sarma
Recent studies about innovations in GO/N‐Ligand‐Cu Nano‐Composites have been done. Graphene‐Oxide is improved with N1,N3‐bis (pyridin‐2‐ylmethyl)propane‐1,3‐diamine and after that is matched with ...copper (Cu). The chemical composition and the structure of the catalyst were analyzed by TGA/DTG, EDX, XRD, FT‐IR, TEM, and SEM. The results demonstrated that GO/N‐Ligand‐Cu was able to catalyze the chromeno2,3‐bpyridine compounds to obtain high yields in short reaction time. The results of the present work are hoped to assist the growth of a new class of heterogeneous catalysts as the high‐function candidate for industrial applications.
•synthesized of 15-membered macroacyclic Schiff base complexes.•characterized the synthesized compounds by elemental analysis, IR, ESI-MS, UV–Vis and, NMR spectroscopy.•the structure of CdLBrClO4 has ...been determined by a single crystal X-ray structural analysis.•Investigation of a cytotoxicity, antioxidant and antibacterial activity.
Herein, we aim at preparing 15-membered-ring symmetrical pentaaza macrocyclic Schiff base complexes using a template approach, based on the condensation reaction of an amine containing piperazine moiety, 2,2-(piperazine1,4-diyl)dianiline, and 2,6-diacetylpyridine in 1:1 mol ratio while Cd(II), Mn(II) and Zn(II) metal ions are present. Moreover, FT-IR, mass spectrometry, magnetic susceptibility measurements, UV–Vis and, 1H and 13C NMR spectroscopy were used to characterize these Schiff base complexes. Besides, the structure of C25H25N5CdBrClO4 was determined using a single crystal X-ray structural analysis. Being in a pentagonal planar coordination environment, the Cd atom is surrounded by a Br atom in the apical position and 5 nitrogen atoms in the pentagonal plane. We also aimed at screening the synthesized complexes to investigate their antioxidant activities applying the 1,1-diphenyl-2-picryl-hydrazyl (DPPH) free radical scavenging assay. also, their bactericidal activity was evaluated using a paper disk diffusion method against both Gram-negative and Gram-positive bacteria, revealing a strong antioxidant activity and moderate effectiveness against all the tested bacteria. Finally, it is worth mentioning that the complex cytotoxicity was evaluated against MCF-7 (breast) and A549 (lung) adenocarcinoma cells. Generally, as compared to ZnLBrClO4 possessed a greater cytotoxic effect against the tested cells.
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