scholarly journals Antimicrobial, Anticancer, Antioxidant Potential of Pyridine based Coordination Compounds: In-silico ADMET Prediction and Molecular Docking Simulations

2020 ◽  
Vol 8 (4S4) ◽  
pp. 149-155
Keyword(s):  
Spectral Analysis ◽  
Coordination Compounds ◽  
Planar Geometry ◽  
The Novel ◽  
Antioxidant Ability ◽  
Metal Chlorides ◽  
Docking Simulations ◽  
Square Planar ◽  
In Silico Admet ◽  
Schiff Base Metal Complexes

The novel Schiff base metal complexes were derived from the reaction of 9-anthraldehyde and 2-amino-3-hydroxypyridine and metal chlorides All the compounds were investigated by various spectral analysis. From the analysis, it is clear that compounds have square planar geometry with crystalline look. The DNA synergic studies suggest that the compounds were better DNA binder. The synthesized compounds were screened against several microbes which specified that the compounds have greater screening ability than ligand due to chelation. The anticancer activity of the synthesized compounds was also studied which revealed that the Cu(II) has greater potential rather than other compounds. The antioxidant ability display that the synthesized compounds have excellent ability to destroy the free radical than ligand. The ADMET evaluation shows that the prepared compounds hold good drug-likeness skill.

scholarly journals Antimicrobial, Anticancer, Antioxidant Potential of Pyridine based Coordination Compounds: In-silico ADMET Prediction and Molecular Docking Simulations

2019 ◽  
Vol 8 (4S2) ◽  
pp. 505-511
Keyword(s):  
Spectral Analysis ◽  
Coordination Compounds ◽  
Planar Geometry ◽  
The Novel ◽  
Antioxidant Ability ◽  
Metal Chlorides ◽  
Docking Simulations ◽  
Square Planar ◽  
In Silico Admet ◽  
Schiff Base Metal Complexes

The novel Schiff base metal complexes were derived from the reaction of 9-anthraldehyde and 2-amino-3-hydroxypyridine and metal chlorides All the compounds were investigated by various spectral analysis. From the analysis, it is clear that compounds have square planar geometry with crystalline look. The DNA synergic studies suggest that the compounds were better DNA binder. The synthesized compounds were screened against several microbes which specified that the compounds have greater screening ability than ligand due to chelation. The anticancer activity of the synthesized compounds was also studied which revealed that the Cu(II) has greater potential rather than other compounds. The antioxidant ability display that the synthesized compounds have excellent ability to destroy the free radical than ligand. The ADMET evaluation shows that the prepared compounds hold good drug-likeness skill.

scholarly journals Palladium(II) Complex of the 5-Hydroxypyridine-2-carbaldehyde N(4)-ethylthiosemicarbazone: Synthesis and Characterization

2013 ◽  
Vol 28 ◽  
pp. 34-41 ◽  
Author(s):  
Paras Nath Yadav ◽  
Laxman Bhattrai ◽  
Pramod K. Mehta
Keyword(s):  
Chloride Ion ◽  
Chemical Society ◽  
Planar Geometry ◽  
The Novel ◽  
Pyridyl Nitrogen ◽  
Imine Nitrogen ◽  
Thiosemicarbazone Ligand ◽  
Square Planar ◽  
Uv Visible ◽  
Fourth Coordination

The novel complex of 5-hydroxypyridine-2-carbaldehyde N(4)-ethylthiosemicarbazone (HPyEt) with plalladium(II) have been prepared and characterized by elemental analysis, IR, 1H-NMR, UV-visible spectroscopy and mass spectrometry (FAB). Coordination of the anionic thiosemicarbazone ligand is via the pyridyl nitrogen, imine nitrogen and thiolato sulfur atoms and the fourth coordination site being occupied by chloride ion in square planar geometry. DOI: http://dx.doi.org/10.3126/jncs.v28i0.8040 Journal of Nepal Chemical Society Vol.28, 2011 Page 34-41 Uploaded date: March 6, 2013

scholarly journals Syntheses, Characterization and Biological Activity of Coordination Compounds of Propanedioic Acid and its Mixed Ligand Complexes with N,N'-Dihydroxy-2,3-butanediimine

2021 ◽  
Vol 33 (8) ◽  
pp. 1911-1918
Author(s):  
T.O. Aiyelabola ◽  
E.O. Akinkunmi ◽  
O Osungunna
Keyword(s):  
Antimicrobial Activity ◽  
Metal Ions ◽  
Coordination Compounds ◽  
Mixed Ligand Complex ◽  
Octahedral Geometry ◽  
Mixed Ligand ◽  
Mixed Ligand Complexes ◽  
Planar Geometry ◽  
Acid Complex ◽  
Square Planar

The coordination compounds of propanedioic acid with cobalt(II), nickel(II) and copper(II) ions were synthesized using metal:ligand 1:2. In addition to this, mixed ligand complexes using the same metal ions with propanedioic acid as the primary ligand and N,N'-dihydroxy-2,3-butanediimine as the secondary ligand were also synthesized using M:L1:L2 (1:1:1) where L1 = propanedioic acid, L2 = N,N'-dihydroxy-2,3-butanediimine and M = Cu(II), Ni(II) and Cu(II). The synthesized compounds were characterized using FTIR, UV-vis, magnetic susceptibility measurement and percentage metal composition. The ligand and its metal complexes were tested for their cytotoxic and antibacterial activities. Results indicated that a dimeric square planar geometry was assumed by the cobalt(II) and nickel(II) propanedioic acid complexes. Octahedral geometry was proposed for both cobalt(II) and copper(II) mixed ligand complexes. A dinuclear square pyramidal geometry was suggested for the copper(II) propanedioic acid complex and square planar/octahedral geometry for the nickel(II) mixed ligand complex. The copper(II) propanedioic acid complex elicited the best cytotoxic activity. On the other hand, the nickel(II) propanedioic acid complex showed the remarkable antimicrobial activity. The compounds exhibited good antimicrobial activity in most of the cases with the exception of the cobalt(II) propanedioic acid complex. It was concluded that coordination of the ligands to the metal ions lowered the toxicity of the ligands. It was further concluded that the antimicrobial activity of the compounds was partly dependent on the synergism/additive effect of the intrinsic therapeutic properties of the metal ion and the ligands within the coordination sphere of the complexes synthesized. And this is also in part a function of the geometry assumed by the complexes.

Effect of robust π–π stacking synthon on the formation of mercury coordination compounds; an unusual pseudo-square planar geometry

2014 ◽  
Vol 43 (14) ◽  
pp. 5564-5573 ◽  
Author(s):  
Hamid Reza Khavasi ◽  
Bahareh Mir Mohammad Sadegh
Keyword(s):  
Coordination Compounds ◽  
Planar Geometry ◽  
Π Stacking ◽  
Square Planar

In this study, three Hg(ii) complexes, [HgCl2(L2-naph)]n, 1, [HgBr2(L2-naph)]n, 2 and [HgI2(L2-naph)2], 3 where L2-naph is N-(naphthalene-2-yl)pyrazine-2-carboxamide ligand have been synthesized and characterized.

New Platinum (II) Ternary Complexes of Formamidine and Pyrophosphate: Synthesis, Characterization and DFT Calculations and In vitro Cytotoxicity

2020 ◽  
Vol 23 (7) ◽  
pp. 611-623
Author(s):  
Ahmed A. Soliman ◽  
Fawzy A. Attaby ◽  
Othman I. Alajrawy ◽  
Azza A.A. Abou-hussein ◽  
Wolfgang Linert
Keyword(s):  
Cell Line ◽  
Cancer Cell ◽  
Theoretical Calculations ◽  
Thermal Analyses ◽  
Cancer Cell Line ◽  
Cellular Growth ◽  
Planar Geometry ◽  
Square Planar ◽  
Vis Spectroscopy

Aim and Objective: Platinum (II) and platinum (IV) of pyrophosphate complexes have been prepared and characterized to discover their potential as antitumor drugs. This study was conducted to prepare and characterize new ternary platinum (II) complexes with formamidine and pyrophosphate as an antitumor candidate. Materials and Methods: The complexes have been characterized by mass, infrared, UV-Vis. spectroscopy, elemental analysis, magnetic susceptibility, thermal analyses, and theoretical calculations. They have been tested for their cytotoxicity, which was carried out using the fastcolorimetric assay for cellular growth and survival against MCF-7 (breast cancer cell line), HCT- 116 (colon carcinoma cell line), and HepG-2 (hepatocellular cancer cell line). Results: All complexes are diamagnetic, and the electronic spectral data displayed the bands due to square planar Pt(II) complexes. The optimized complexes structures (1-4) indicated a distorted square planar geometry where O-Pt-O and N-Pt-N bond angles were 82.04°-96.44°, respectively. Conclusion: The complexes showed noticeable cytotoxicity and are considered as promising antitumor candidates for further applications.

{1-[2-(Methylamino)ethyliminomethyl]naphthalen-2-olato}thiocyanatocopper(II)

2006 ◽  
Vol 62 (7) ◽  
pp. m1533-m1534 ◽  
Author(s):  
Han-Na Hou
Keyword(s):  
Schiff Base ◽  
Schiff Base Ligand ◽  
Title Compound ◽  
Planar Geometry ◽  
Asymmetric Unit ◽  
Thiocyanate Anion ◽  
Square Planar

The title compound, [Cu(C14H15N2O)(NCS)], is a mononuclear copper(II) complex, with two molecules in the asymmetric unit. The CuII ion is coordinated by one O and two N atoms of a Schiff base ligand, and by one N atom of a thiocyanate anion, forming a square-planar geometry.

scholarly journals Crystal structures of [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O containing MnO6+1capped trigonal prisms and [Cu(Hspar)2](bdc)·2H2O containing CuO4squares (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate)

2016 ◽  
Vol 72 (1) ◽  
pp. 96-101
Author(s):  
Zhe An ◽  
Jing Gao ◽  
William T. A. Harrison
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Crystal Structures ◽  
Metal Ion ◽  
Three Dimensional ◽  
Trigonal Prism ◽  
Planar Geometry ◽  
Cationic Complex ◽  
Counter Ion ◽  
Square Planar

The syntheses and crystal structures of 0.25-aqua(benzene-1,4-dicarboxylato-κ2O,O′)bis(sparfloxacin-κ2O,O′)manganese(II) dihydrate, [Mn(C8H4O4)(C19H22F2N4O3)2(H2O)0.25]·2H2O or [Mn(bdc)(Hspar)2(H2O)0.25]·2H2O, (I), and bis(sparfloxacin-κ2O,O′)copper(II) benzene-1,4-dicarboxylate dihydrate, [Cu(C19H22F2N4O3)2](C8H4O4)·2H2O or [Cu(Hspar)2](bdc)·2H2O, (II), are reported (Hspar = sparfloxacin and bdc = benzene-1,4-dicarboxylate). The Mn2+ion in (I) is coordinated by twoO,O′-bidentate Hspar neutral molecules (which exist as zwitterions) and anO,O′-bidentate bdc dianion to generate a distorted MnO6trigonal prism. A very long bond [2.580 (12) Å] from the Mn2+ion to a 0.25-occupied water molecule projects through a square face of the prism. In (II), the Cu2+ion lies on a crystallographic inversion centre and a CuO4square-planar geometry arises from its coordination by twoO,O′-bidentate Hspar molecules. The bdc dianion acts as a counter-ion to the cationic complex and does not bond to the metal ion. The Hspar ligands in both (I) and (II) feature intramolecular N—H...O hydrogen bonds, which closeS(6) rings. In the crystals of both (I) and (II), the components are linked by N—H...O, O—H...O and C—H...O hydrogen bonds, generating three-dimensional networks.

scholarly journals Unsymmetrical Schiff Base Functionalized as Monobasic Tridentate Ligand on Complexation with Some Transition Metal Ions

2012 ◽  
Vol 9 (2) ◽  
pp. 532-544
Author(s):  
Bibhesh K. Singh ◽  
Narendar Bhojak ◽  
Anant Prakash
Keyword(s):  
Schiff Base ◽  
Transition Metal Ions ◽  
Tridentate Ligand ◽  
Planar Geometry ◽  
Physico Chemical ◽  
Square Planar ◽  
Unsymmetrical Schiff Base ◽  
Mm2 Calculations ◽  
Microbial Potential

Cu(II), Co(II), Ni(II) and Mn(II) complexes of Schiff base derived from 2-aminophenol and pyrrole-2- carbaldehyde have been prepared. The complexes are formed by coordination of N and O atoms of the ligand. Their structures were characterized by physico-chemical and spectroscopic methods. Molecular structure of the complexes has been optimized by MM2 calculations and suggests a tetrahedral/ square planar geometry. The bio-efficacy of the ligand and their complexes has been examined against the growth of bacteriain vitroto evaluate their anti-microbial potential.

scholarly journals trans-Dichloridobis[dicyclohexyl(phenyl)phosphane-κP]palladium(II)

2012 ◽  
Vol 68 (4) ◽  
pp. m404-m404 ◽  
Author(s):  
Andrew R. Burgoyne ◽  
Reinout Meijboom ◽  
Hezron Ogutu
Keyword(s):  
Long Range ◽  
Title Compound ◽  
Phenyl Ring ◽  
Planar Geometry ◽  
Dalton Trans ◽  
Bond Lengths ◽  
Monomeric Complex ◽  
Square Planar

The title compound, [PdCl2{P(C6H11)2(C6H5)}2], forms a monomeric complex with atrans-square-planar geometry. The Pd—P bond lengths are 2.3343 (5) Å, as the Pd atom lies on an inversion centre, while the Pd—Cl bond lengths are 2.3017 (4) Å. The observed structure was found to be closely related to [PdCl2{P(C6H11)3}2] [Grushinet al.(1994).Inorg. Chem.33, 4804–4806], [PdBr2{P(C6H11)3}2] [Clarkeet al.(2003).Dalton Trans.pp. 4393–4394] and [PdCl2P(C6H11)2(C7H7)}2] [Vuotiet al.(2008).Eur. J. Inorg. Chem.pp. 397–407] (C6H11is cyclohexyl and C7H7iso-tolyl). One of the cyclohexyl rings is disordered with the phenyl ring in a 0.587 (9):413 (9) ratio. Five long-range C—H...Cl interactions were observed within the structure.

Synthesis, Characterization and Biological Activity Evaluation of Novel Pd(II) and Pt(II) Complexes with Heterocyclic Hydrazone Ligands

2007 ◽  
Vol 555 ◽  
pp. 423-427 ◽  
Author(s):  
Nenad R. Filipović ◽  
Tamara R. Todorović ◽  
D.M. Sladić ◽  
Irena T. Novaković ◽  
D.A. Jeremić ◽  
...  
Keyword(s):  
Biological Activity ◽  
13C Nmr Spectroscopy ◽  
Chloride Ions ◽  
Planar Geometry ◽  
Moderate Activity ◽  
Coordination Sites ◽  
Ligand Type ◽  
Square Planar ◽  
Derivatives Of ◽  
Hydrazone Ligands

New complexes of Pt(II) with condensation derivatives of ethyl hydrazinoacetate and either 2-acetylpyridine or 2-quinolinecarboxaldehyde, and of Pd(II) with the condensation derivative of ethyl hydrazinoacetate and 2-quinolinecarboxaldehyde were synthesized and characterized by elemental analysis, IR, 1H- and 13C-NMR spectroscopy, and molar conductivity measurements. The complexes have a square planar geometry, ligands binding as bidentates in the neutral form, and the remaining two coordination sites being occupied by chloride ions. Biological activity of new complexes, and of previously synthesized Pd(II), Cd(II), Co(III) and Zn(II) complexes with this ligand type was evaluated by the brine shrimp test. All the complexes showed a moderate activity.

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